data_1c3t_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 1c3t _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.31 147.85 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 61' ' ' LEU . 16.4 mt -138.81 129.21 25.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 65' ' ' SER . 5.6 m-30 -92.65 139.6 30.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.6 144.1 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -130.45 153.53 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -117.16 -156.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.73 14.24 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -118.11 -8.74 10.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.49 80.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -81.67 126.67 32.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.3 129.24 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.8 158.83 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -132.61 114.18 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 m -122.84 157.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.7 108.06 17.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -138.54 147.08 42.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.1 mm-40 -92.06 156.96 41.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 29.4 Cg_endo -63.11 -13.79 37.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.051 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 p -85.48 -29.34 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' THR . 13.0 m-20 -56.9 158.16 5.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.778 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.4 p -109.45 159.63 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 98.2 t -44.88 -47.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.4 -49.25 18.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -58.05 -49.81 75.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 43' ' ' LEU . 8.6 tp -49.61 -50.15 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -54.48 -42.87 71.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.261 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.66 -43.12 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -39.79 91.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.184 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 HG21 ' HB ' ' A' ' 36' ' ' ILE . 9.8 mt -66.39 -22.83 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.554 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 53.9 tt0 -88.24 -31.12 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -11.42 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -114.16 -63.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.83 -20.91 22.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 73.35 43.4 38.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 ' HB ' HG21 ' A' ' 30' ' ' ILE . 18.8 mt -111.62 132.27 21.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 39.7 Cg_exo -57.1 147.13 77.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.825 2.35 . . . . 0.0 112.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -58.02 -49.27 13.23 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.85 2.367 . . . . 0.0 112.369 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 -3.37 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -104.47 10.87 35.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -124.73 120.87 33.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.886 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -107.78 101.73 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD11 HD13 ' A' ' 50' ' ' LEU . 2.7 mt -89.84 103.44 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG21 ' C ' ' A' ' 47' ' ' GLY . 58.9 mt -107.17 83.47 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CD1' HG13 ' A' ' 67' ' ' ILE . 14.1 t80 -82.84 121.14 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.32 11.29 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' HG21 ' A' ' 44' ' ' ILE . . . 107.35 -18.41 35.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 137.95 32.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' O ' ' OE1' ' A' ' 51' ' ' GLU . 27.0 tt0 -89.41 127.63 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 43' ' ' LEU . 8.6 mt -69.98 139.05 52.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 49' ' ' GLN . 2.6 mp0 -97.61 130.52 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -61.04 104.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.41 -8.5 4.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -99.54 152.42 20.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 18.1 p -90.14 145.62 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 7.0 mt -50.08 -35.49 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -72.16 -12.44 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 84.9 m-20 -85.53 -5.95 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.075 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 18.6 m-85 -113.61 -78.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 p-10 163.41 41.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -84.03 119.9 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -99.95 176.51 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 117.56 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.0 76.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.4 m -108.83 -175.48 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.8 m -128.89 133.02 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.522 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.9 mp -136.57 138.93 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 11.3 m170 -90.19 112.6 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 4.4 tt -99.07 105.64 17.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 42' ' ' ARG . 29.2 m -112.21 142.91 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -112.41 150.59 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.33 164.82 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -111.4 139.31 46.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.12 118.9 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -115.37 145.24 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -96.14 177.87 5.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' CG1' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -69.12 -13.65 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.31 -17.92 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 117.21 -41.31 2.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.273 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -36.65 132.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -129.94 143.97 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' OE2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -136.88 164.01 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -123.18 128.52 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.12 163.58 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.57 113.63 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' CG ' ' A' ' 21' ' ' ASP . 10.4 mt -141.97 175.09 10.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.5 mm-40 -107.42 158.12 33.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.2 Cg_endo -65.06 -14.23 44.12 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.248 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.9 m-20 -50.34 166.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 3.0 p -118.35 161.22 20.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -51.04 -39.53 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -42.68 76.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.505 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.51 -59.51 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -48.65 -54.4 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 14.7 mmtt -55.56 -50.83 68.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.541 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.37 -45.62 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.728 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -42.92 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 5.8 mt -62.24 -19.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.019 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.4 tt0 -88.6 -27.56 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -31.51 16.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -90.95 -52.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.492 ' OE2' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -89.84 -9.34 49.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 68.64 22.6 75.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.614 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.7 mt -110.76 117.33 50.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.207 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 29.6 Cg_exo -61.81 153.23 69.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.742 2.295 . . . . 0.0 112.191 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 41.8 Cg_endo -67.82 -28.92 35.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.86 -17.0 60.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 21.85 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 29.6 mt-30 -100.92 122.68 43.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.7 ttt180 -117.67 90.83 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' GLN . 15.1 mt -91.05 131.75 36.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.416 ' CG2' ' HA2' ' A' ' 47' ' ' GLY . 71.0 mt -137.29 93.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 61' ' ' LEU . 16.8 t80 -74.55 107.25 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.22 23.29 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.036 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 44' ' ' ILE . . . 108.58 -10.13 35.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -91.21 109.78 21.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.68 120.96 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.41 140.93 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -111.61 133.56 53.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.35 146.86 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.29 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.67 149.58 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.6 p -89.74 166.79 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -67.44 -50.19 60.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -60.26 -27.32 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 55' ' ' THR . 28.5 m-20 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 65.7 m-85 -93.14 21.22 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER 41.96 70.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.2 mm? -93.32 179.3 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 19.7 mm100 -143.52 164.32 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 139.05 56.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.99 71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -112.77 135.32 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -127.13 131.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -92.52 114.94 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -103.45 131.33 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.05 141.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . 1.7 mp0 -87.72 160.24 18.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.736 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 2' ' ' GLN . 29.2 mt -145.92 140.77 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.969 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -102.19 126.41 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.63 99.11 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -93.77 139.73 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -99.86 -164.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.58 -12.3 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -90.5 -30.19 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.93 14.6 7.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -90.59 110.2 21.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 m -98.31 114.73 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.066 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.29 132.92 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -107.69 96.16 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.11 159.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.72 112.67 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD23 ' CE ' ' A' ' 29' ' ' LYS . 3.8 mt -144.63 177.76 8.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -111.45 156.26 41.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.8 Cg_endo -58.24 -22.97 59.89 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.806 2.338 . . . . 0.0 112.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -75.28 -35.77 61.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HB2' HD11 ' A' ' 56' ' ' LEU . 16.4 m-20 -46.11 149.06 0.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -99.39 157.21 16.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' HD2' ' A' ' 27' ' ' LYS . 62.0 t -46.97 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CG ' ' OD1' ' A' ' 52' ' ' ASP . 2.7 mt-10 -58.6 -51.55 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.457 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 28.4 m120 -55.07 -48.26 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.323 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -55.96 -55.01 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.46 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 15.2 mttp -52.78 -40.85 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 25' ' ' ASN . . . -54.7 -46.04 74.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.547 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' CE ' HD23 ' A' ' 17' ' ' LEU . 3.3 mptp? -57.45 -45.57 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.318 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.1 mt -68.45 -17.99 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -90.26 -35.91 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.645 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.96 5.52 40.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -126.62 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -103.29 -10.8 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.61 32.28 67.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.371 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG21 ' HD2' ' A' ' 37' ' ' PRO . 1.8 mt -100.12 125.97 38.04 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.228 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' HG21 ' A' ' 36' ' ' ILE . 85.4 Cg_endo -79.72 142.21 15.89 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.819 2.346 . . . . 0.0 112.526 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 58.1 Cg_exo -52.28 -22.36 15.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.889 2.393 . . . . 0.0 112.348 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -47.65 79.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.6 mt-30 -93.43 0.44 56.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.177 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' OE1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt-30 -89.75 106.54 18.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.337 . . . . 0.0 111.208 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 15.1 mtp180 -110.86 103.06 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' HD11 ' A' ' 44' ' ' ILE . 11.6 mt -90.08 127.09 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 43' ' ' LEU . 5.1 mm -126.17 99.79 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CZ ' HD22 ' A' ' 61' ' ' LEU . 45.5 t80 -99.35 121.05 40.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.11 30.75 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.53 22.43 53.8 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -121.24 123.21 41.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.47 113.14 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 59' ' ' TYR . 9.5 mt -66.42 148.43 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -129.05 134.06 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 12.2 t0 -47.47 114.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.95 -25.68 3.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.585 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 148.43 22.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 36.9 p -90.08 157.65 17.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 21' ' ' ASP . 22.2 mt -59.42 -42.78 92.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 48.0 t -61.22 -32.48 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.78 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 91.6 m-20 -57.87 -29.77 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CE2' HD21 ' A' ' 50' ' ' LEU . 85.1 m-85 -92.8 23.21 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.95 42.21 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mt -75.24 125.44 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -95.76 -174.85 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -71.11 139.0 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 50.34 68.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -92.97 174.73 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.4 m -126.47 101.82 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.43 146.48 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.82 110.52 22.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tt -88.03 115.38 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -109.68 150.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.059 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.8 mm? . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.2 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.97 99.83 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.6 mt -96.34 163.55 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 m-85 -113.96 158.98 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.459 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 64.5 t -143.13 105.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 16.5 ptmt -95.84 151.02 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.55 -176.38 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HG ' HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -85.04 -7.63 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -96.63 -44.45 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.35 38.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 106.44 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 23.5 m -103.08 125.72 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HG ' ' HB ' ' A' ' 5' ' ' VAL . 1.7 pp -115.48 -173.31 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -147.77 139.25 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.56 152.76 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.28 103.31 15.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 1' ' ' MET . 13.5 mt -132.53 140.54 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.52 151.5 41.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HB3' ' HB2' ' A' ' 57' ' ' SER . 75.0 Cg_exo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 p -65.64 -40.55 92.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD2' HD23 ' A' ' 17' ' ' LEU . 2.0 m-20 -45.68 155.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 161.97 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 22.3 t -46.36 -37.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -59.67 -50.25 74.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -53.34 -44.54 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 tp -56.96 -52.82 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 18.9 mttt -58.32 -50.72 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.07 -45.88 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -62.2 -47.5 84.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD13 HD11 ' A' ' 69' ' ' LEU . 63.6 mt -58.48 -19.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 13.2 tt0 -82.41 -35.8 27.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -11.64 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 -61.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' HB2' HG21 ' A' ' 30' ' ' ILE . 16.3 mt-10 -89.55 -8.61 52.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.3 32.59 68.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.425 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -121.97 120.23 28.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 111.263 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 32.2 Cg_exo -58.17 153.26 47.07 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 112.101 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 52.2 Cg_exo -54.88 -43.21 61.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 m-20 -68.68 -22.65 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -89.8 9.41 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -142.51 144.75 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.0 111.011 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -126.03 122.66 36.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -92.96 126.19 37.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mm -129.87 108.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -114.64 124.43 51.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.91 37.96 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.23 9.26 67.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 107.13 14.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -65.67 133.37 50.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.83 134.25 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.6 118.29 36.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -46.67 143.68 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.3 -15.58 62.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.578 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -92.48 167.26 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -105.72 153.13 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -61.16 -38.5 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 38.9 t -59.76 -23.7 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -70.84 -32.47 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 55.9 m-85 -98.66 33.18 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 6.6 p30 41.94 62.0 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -91.22 111.63 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.05 -177.73 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -77.44 135.68 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.9 mt-10 74.89 40.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -82.78 165.98 19.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 m -126.64 118.26 24.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -113.57 127.47 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.496 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.5 m170 -90.08 112.68 24.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 30' ' ' ILE . 8.3 tt -95.09 116.17 28.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 HG11 ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.15 143.07 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.446 ' O ' HD11 ' A' ' 71' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.453 ' HB3' ' O ' ' A' ' 17' ' ' LEU . 8.4 ttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -100.1 152.15 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 56' ' ' LEU . 2.6 mt -140.7 145.97 37.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 65' ' ' SER . 40.8 m-85 -114.58 128.51 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.57 115.56 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 153.24 19.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 p -109.75 -175.43 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 15.65 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -126.09 13.12 7.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 -11.16 56.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 126.41 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -125.2 130.09 51.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HB3' ' OE2' ' A' ' 34' ' ' GLU . 2.2 pp -109.59 169.36 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -134.98 122.93 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -114.91 153.81 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.0 mt-10 -128.83 107.22 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.77 168.68 22.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -91.36 149.9 40.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 79.6 Cg_exo -46.78 -22.42 1.9 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.238 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 p -67.58 -39.71 84.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.74 157.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.7 p -115.26 169.08 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 51' ' ' GLU . 57.9 t -49.53 -29.66 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.736 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -45.52 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 16.3 m120 -62.24 -52.82 62.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.449 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 15' ' ' VAL . 23.0 tp -54.1 -47.32 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.4 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 27.0 mttm -63.79 -52.07 61.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 -44.76 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CE ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.52 -48.47 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.51 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 69' ' ' LEU . 36.7 mt -59.8 -19.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.0 tt0 -89.59 -33.77 16.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.29 -11.69 40.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.8 mttp -104.86 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 mm-40 -89.98 -12.27 39.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 74.97 27.71 63.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.411 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -104.59 133.14 20.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 0.0 111.264 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 87.2 Cg_endo -81.18 147.87 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 45.3 Cg_exo -56.07 -21.19 33.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -24.54 55.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 38.0 mt-30 -113.97 3.97 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.9 mt-30 -89.87 108.29 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.073 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 7.1 ttt180 -105.53 98.95 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.1 mt -89.94 118.48 29.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.1 mm -123.37 102.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -103.32 110.44 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.23 40.57 27.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -9.46 57.12 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 120.21 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.37 112.46 21.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.94 146.73 31.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.9 mt-10 -114.51 128.62 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 103.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.75 -13.52 3.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.74 160.44 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 32.8 p -95.2 163.89 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' CD1' HD13 ' A' ' 3' ' ' LEU . 5.8 mt -66.12 -54.4 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 1.3 t -50.61 -37.55 40.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 83.2 m-20 -48.17 -29.7 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -93.05 26.34 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 38.81 33.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.17 160.9 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.09 178.05 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.87 133.07 55.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 46.95 84.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 69.3 m -104.85 172.37 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.9 m -122.32 107.71 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 67' ' ' ILE . 2.7 mp -112.82 140.55 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -93.83 129.16 40.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 30' ' ' ILE . 7.7 tt -107.9 116.63 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.22 144.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' LEU . 4.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -97.8 101.18 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 mt -99.38 140.04 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.39 133.7 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.35 101.24 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 5.8 ptpt -98.86 174.93 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -133.81 -161.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.64 -19.52 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -89.97 -8.35 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -43.23 1.73 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.85 115.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 6' ' ' LYS . 52.0 m -123.68 125.38 44.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -102.81 149.82 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 m -108.47 128.74 55.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 13' ' ' LEU . 3.4 m -132.21 158.55 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.7 117.74 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 1' ' ' MET . 4.8 mt -136.59 -174.69 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -129.36 152.03 78.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.83 -22.1 6.77 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.203 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.56 -39.5 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' HD21 ' A' ' 17' ' ' LEU . 76.9 m-20 -41.51 151.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -113.82 170.58 8.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 75.4 t -47.5 -43.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -53.71 -44.45 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 18.6 m120 -58.99 -54.45 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.571 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 tp -50.04 -54.87 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.486 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 68.8 mttt -59.12 -42.89 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.403 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.75 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 1.7 mmmt -73.76 -44.65 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.68 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD12 ' OE1' ' A' ' 41' ' ' GLN . 15.0 mt -58.0 -30.3 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.0 tt0 -81.14 -26.41 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -7.73 52.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -118.49 -52.82 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB3' ' CG1' ' A' ' 36' ' ' ILE . 1.8 mp0 -102.65 14.26 32.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.76 32.46 4.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' CG1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -98.17 125.85 42.15 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.5 Cg_endo -79.82 142.62 15.97 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.794 2.33 . . . . 0.0 112.404 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 35.7 Cg_exo -59.7 -23.45 71.71 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -64.83 -21.92 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.5 mt-30 -125.98 21.07 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 30.2 mt-30 -94.85 123.58 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 1.4 tpp180 -112.87 94.39 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 49' ' ' GLN . 22.5 mt -89.83 115.92 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.88 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.056 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CE2' HD21 ' A' ' 61' ' ' LEU . 10.5 t80 -126.88 126.77 43.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.52 42.26 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.25 32.04 75.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.87 109.51 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 44.5 tt0 -72.98 137.04 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.67 154.08 34.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -113.67 119.13 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.08 103.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.51 -12.79 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -103.28 168.4 9.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -96.81 164.96 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 HD12 ' A' ' 61' ' ' LEU . 5.8 mt -67.55 -38.93 84.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -55.68 -45.63 77.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -47.82 -28.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 88.8 m-85 -98.11 19.83 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.8 p-10 45.65 45.89 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.514 HD21 ' CE2' ' A' ' 45' ' ' PHE . 47.4 mt -77.67 117.35 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -98.29 173.74 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.2 tttm -68.59 119.6 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER 84.24 77.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' HD12 ' A' ' 67' ' ' ILE . 3.6 m -121.28 144.64 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -103.11 93.36 4.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 67' ' ' ILE . 3.5 mp -94.97 141.35 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -95.88 117.74 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -104.28 115.36 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -103.79 154.92 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.417 ' CG ' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -84.83 156.83 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 17' ' ' LEU . 3.7 mt -140.05 120.86 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -94.03 105.77 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.6 t -101.16 103.32 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.77 148.89 24.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -115.5 -167.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.17 2.13 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -100.39 -4.67 28.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 -16.26 53.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 2.6 tttm -64.52 136.05 56.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -113.6 122.15 46.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -98.64 130.34 45.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' CG ' ' A' ' 2' ' ' GLN . 55.0 m -109.32 103.19 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.66 150.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 107.49 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CB ' HD11 ' A' ' 3' ' ' LEU . 1.3 tp -139.69 144.48 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.8 mp0 -90.74 153.49 45.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' OG ' ' A' ' 57' ' ' SER . 51.0 Cg_exo -52.96 -36.83 77.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -57.65 -35.15 70.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.8 m-20 -54.22 153.04 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -108.1 162.47 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 66.7 t -50.1 -30.18 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.995 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -49.86 73.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -59.28 -53.27 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tp -47.41 -52.14 17.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 17.1 mmtt -54.37 -53.8 49.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.66 -52.91 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.683 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -55.65 -43.99 76.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.527 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 56.8 mt -62.96 -19.12 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.932 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.8 tt0 -90.13 -22.98 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -8.88 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -118.7 -54.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' CB ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -97.25 9.66 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 48.39 31.61 9.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.533 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG13 ' CB ' ' A' ' 34' ' ' GLU . 2.9 mt -99.68 123.07 49.12 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.357 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 97.1 Cg_endo -80.91 149.6 17.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.746 2.297 . . . . 0.0 112.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 22.1 Cg_endo -61.6 -22.14 73.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.232 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.32 -25.64 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -115.89 6.59 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.527 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 10.6 mt-30 -93.66 123.99 37.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -119.61 91.61 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' HD13 ' A' ' 69' ' ' LEU . 10.4 mt -89.84 134.26 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -137.05 118.19 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -105.35 118.14 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.77 45.24 27.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.03 20.7 74.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 97.07 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.89 130.91 47.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' HB3' HG23 ' A' ' 23' ' ' VAL . 17.5 mt -78.17 157.82 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 9.9 t70 -47.41 146.9 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.41 -19.44 50.33 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.96 153.44 20.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.456 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 55.3 p -90.59 131.91 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -46.24 -29.77 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -69.93 -19.62 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 19.7 m-20 -71.2 -18.87 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' ASN . 58.9 m-85 -101.38 31.09 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' TYR . 1.4 p-10 37.0 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 1.1 mt -64.11 133.3 52.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -98.14 -173.46 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 142.49 46.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 45.33 53.29 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -76.62 161.3 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -108.01 110.0 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.12 142.35 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -99.76 108.2 20.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HG ' ' A' ' 43' ' ' LEU . 14.9 tp -96.46 117.23 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -121.63 150.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.755 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.3 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.32 134.98 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 56' ' ' LEU . 11.2 mt -134.7 140.19 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.84 115.51 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.16 107.3 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 12.3 ptmm? -92.95 143.4 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -103.32 -170.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -3.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.4 p -103.56 25.24 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.97 44.87 72.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 1.7 ttpt -120.04 124.23 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.789 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.05 117.54 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD12 HG13 ' A' ' 15' ' ' VAL . 1.9 tp -106.34 129.65 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -108.61 112.64 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG13 HD12 ' A' ' 13' ' ' LEU . 2.6 m -122.41 148.39 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 125.58 51.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.17 -169.44 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 0.3 OUTLIER -132.76 147.31 65.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 58.1 Cg_exo -51.38 -18.13 5.06 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.299 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -74.46 -28.07 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.529 ' CB ' HD21 ' A' ' 17' ' ' LEU . 46.1 m-20 -68.83 151.86 46.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 25.2 p -108.6 159.91 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 78.1 t -41.22 -47.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.59 -57.54 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.79 -54.08 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.549 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 17' ' ' LEU . 22.9 tp -49.74 -37.02 27.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 26.8 mttt -66.81 -49.23 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.432 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.02 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -69.98 -44.87 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 HD13 ' OE1' ' A' ' 41' ' ' GLN . 4.5 mt -63.27 -18.42 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.985 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.0 tt0 -83.65 -40.25 19.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 6.38 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -120.57 -67.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 42.54 95.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' HB ' HG21 ' A' ' 30' ' ' ILE . 61.2 mt -112.36 119.47 43.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.54 136.22 65.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.82 2.347 . . . . 0.0 112.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 31.5 Cg_exo -58.8 -28.54 87.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.258 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -17.22 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.026 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -119.07 21.11 12.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.443 ' OE1' HD13 ' A' ' 30' ' ' ILE . 37.3 mt-30 -100.34 100.2 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 ttm-85 -98.93 99.82 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' GLN . 45.5 mt -89.71 123.34 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -121.85 74.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 15.1 t80 -75.04 116.52 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 40.48 30.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.94 -10.0 49.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -92.05 120.53 32.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -80.34 105.46 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HB3' HG23 ' A' ' 23' ' ' VAL . 21.0 mt -50.2 151.37 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -127.23 116.89 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 10.3 t70 -43.86 138.94 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.24 9.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.556 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 158.14 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 3.9 p -94.44 160.58 14.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD13 HD12 ' A' ' 3' ' ' LEU . 19.4 mt -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -38.83 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 55' ' ' THR . 16.7 m-20 -50.78 -35.53 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ASN . 96.4 m-85 -92.91 34.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' TYR . 12.8 p30 36.5 45.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -80.99 122.09 26.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' LYS . 1.1 mt-30 -102.89 137.67 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -38.33 124.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mm-40 84.14 72.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -134.08 151.94 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -96.93 147.1 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -140.73 129.97 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.2 m170 -92.98 103.69 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -91.16 105.66 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -103.09 152.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE1' ' C ' ' A' ' 18' ' ' GLU . 1.6 tmm? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.406 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.38 154.44 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 2' ' ' GLN . 39.7 mt -135.88 129.55 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.3 m-30 -96.9 108.44 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -103.88 101.91 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.7 147.76 22.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 p -105.91 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.65 -12.51 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -90.74 -13.16 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.12 -52.19 0.65 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -38.98 130.89 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -113.64 133.91 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.14 160.03 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -133.46 105.52 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.84 147.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 113.95 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -135.3 -178.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.031 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.8 mm-40 -122.87 160.62 48.4 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.628 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 38.1 Cg_endo -66.55 -5.51 13.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.558 2.172 . . . . 0.0 112.22 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -89.26 -23.8 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.532 ' CB ' HD21 ' A' ' 17' ' ' LEU . 28.9 m-20 -67.64 170.06 8.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.788 0.327 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -125.21 166.19 16.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 66.8 t -45.99 -47.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -51.8 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -57.1 -54.97 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' CD1' ' A' ' 43' ' ' LEU . 4.1 tp -48.91 -55.09 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 16.7 mttt -55.65 -52.51 63.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.5 -43.55 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HE3' HD12 ' A' ' 17' ' ' LEU . 10.4 mttt -66.72 -45.89 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.38 -30.56 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.7 tt0 -75.63 -35.16 60.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.24 -6.25 56.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.71 -58.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HB3' HG13 ' A' ' 36' ' ' ILE . 3.1 mm-40 -112.65 30.92 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 41.32 33.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' A' ' 34' ' ' GLU . 4.5 mt -98.43 109.23 51.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.218 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.88 140.69 51.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.965 2.443 . . . . 0.0 112.269 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -57.11 -29.38 83.0 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.719 2.279 . . . . 0.0 112.195 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -32.72 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -109.5 25.12 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 27.5 mt-30 -104.32 125.31 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 29.5 mtt180 -130.39 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 26' ' ' LEU . 7.1 mt -89.7 112.43 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 mm -101.88 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.12 115.27 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.63 22.88 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.63 -6.04 64.84 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.654 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 135.09 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -86.06 119.01 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.803 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 59' ' ' TYR . 15.5 mt -63.96 136.85 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -103.42 122.82 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.17 106.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.72 -8.9 4.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -100.91 150.16 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 47.1 p -91.16 145.92 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.9 mt -45.37 -40.67 8.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -62.55 -38.87 91.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' THR . 66.1 m-20 -54.84 -31.48 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CE2' HD23 ' A' ' 50' ' ' LEU . 27.2 m-85 -95.06 23.23 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p30 39.33 57.55 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -89.25 132.02 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -97.22 175.18 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 51.19 54.29 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.425 ' CB ' HD22 ' A' ' 61' ' ' LEU . 51.7 m -77.58 163.85 25.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -113.1 111.41 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.42 144.49 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 9.8 m170 -102.59 129.07 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.43 118.22 36.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -118.64 150.55 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.951 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.832 0.349 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.35 138.98 47.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' A' ' 17' ' ' LEU . 28.2 mt -138.93 136.3 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -95.04 134.43 37.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.62 103.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -93.3 151.51 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -115.99 -172.45 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -88.88 19.82 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -118.15 -0.44 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 -6.8 82.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -83.05 138.45 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.935 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -119.17 120.05 35.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -97.08 171.54 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.3 m -144.85 109.0 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.88 155.56 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 18.9 mp0 -96.99 106.16 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' CB ' HD13 ' A' ' 3' ' ' LEU . 1.2 tp -136.11 143.51 44.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -96.39 163.65 20.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.4 Cg_endo -65.53 -16.52 54.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.2 p -85.21 -18.32 34.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 169.97 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -122.47 160.31 25.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 50' ' ' LEU . 94.6 t -50.72 -35.25 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -44.3 89.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.01 -47.13 81.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 tp -50.72 -57.14 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HD2' HG13 ' A' ' 23' ' ' VAL . 14.1 mttt -58.94 -35.39 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.628 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.17 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -72.26 -42.06 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.482 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -62.88 -25.86 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 1.3 tt0 -86.36 -26.27 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -28.12 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -49.09 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' A' ' 11' ' ' LYS . 1.8 tt0 -94.11 -46.6 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 104.32 27.79 6.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.5 mm -99.92 130.88 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_exo -64.93 148.0 89.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 22.7 Cg_exo -63.97 -43.9 14.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.828 2.352 . . . . 0.0 112.256 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -64.44 -13.4 51.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -111.31 20.21 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.482 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 36.5 mt-30 -115.31 95.98 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' HG22 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -96.12 94.49 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.68 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD1' HD13 ' A' ' 50' ' ' LEU . 78.7 mt -89.61 125.63 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -117.64 78.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE2' HD23 ' A' ' 61' ' ' LEU . 68.6 t80 -79.88 118.81 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.55 46.77 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.97 33.49 84.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -132.89 111.14 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.726 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.67 101.79 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 43' ' ' LEU . 22.5 mt -50.43 121.72 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.19 116.38 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -45.4 124.22 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.47 -24.52 6.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.531 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.45 162.27 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -95.65 155.36 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.57 -27.73 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 2.2 t -65.77 -30.0 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.542 ' CB ' ' CD2' ' A' ' 61' ' ' LEU . 39.4 m-85 -103.53 29.28 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.84 32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -60.28 130.02 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -102.61 -171.78 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CD ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -89.34 130.1 35.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' OE2' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mt-10 69.31 27.96 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -64.57 158.14 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -111.65 102.16 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.3 134.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.09 114.99 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 tt -103.96 124.07 48.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' CB ' ' A' ' 42' ' ' ARG . 26.7 m -114.54 135.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.457 ' HE1' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.798 0.332 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -84.04 123.56 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.01 156.98 19.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -122.71 101.34 7.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.77 127.27 42.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.3 ptmm? -115.34 127.41 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.7 p -89.89 -175.42 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -83.53 -3.47 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -90.88 17.01 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.05 17.66 68.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.605 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.26 142.74 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -127.65 113.79 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD12 ' CG1' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -100.27 152.58 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.5 m -100.77 142.47 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 ' CG1' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.43 170.84 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.025 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.81 123.08 34.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.82 143.95 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -99.04 154.39 37.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' HE1' ' A' ' 1' ' ' MET . 77.8 Cg_exo -49.97 -27.41 16.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.823 2.348 . . . . 0.0 112.317 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -72.16 -34.54 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-20 -50.12 158.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -119.58 155.56 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG12 ' HE3' ' A' ' 27' ' ' LYS . 40.8 t -42.46 -34.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -57.84 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.68 -49.61 56.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.19 -47.08 46.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.396 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -57.21 -43.69 83.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.68 -41.34 66.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.666 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -64.55 -41.37 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 HD11 ' OE1' ' A' ' 41' ' ' GLN . 81.1 mt -69.44 -17.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 19.0 tt0 -90.18 -26.17 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -32.33 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -51.02 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -99.05 -46.27 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 95.6 36.06 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.416 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.8 127.6 42.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.29 135.27 66.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.82 2.347 . . . . 0.0 112.218 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.85 -39.01 85.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -33.83 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -92.37 9.38 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mt-30 -95.74 92.74 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 3.1 ttt180 -96.25 94.07 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 80.2 mt -89.7 129.81 36.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.61 94.75 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -102.44 126.97 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.78 33.61 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.55 47.21 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 122.61 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.41 104.38 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -43.96 121.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.08 117.71 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.6 115.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 123.03 -7.07 9.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.67 148.45 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 16.5 p -91.13 139.8 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 61' ' ' LEU . 7.3 mt -46.23 -36.4 6.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -16.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' THR . 92.0 m-20 -76.98 -20.73 55.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 50' ' ' LEU . 54.7 m-85 -109.5 28.43 8.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.22 54.75 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 56' ' ' LEU . 4.5 mt -82.92 119.86 24.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 44.0 mt-30 -107.12 163.35 13.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.7 136.96 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.73 89.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -128.56 155.17 45.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.87 119.3 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.23 133.2 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -95.46 108.09 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -93.99 129.08 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -122.35 135.5 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.5 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 14' ' ' THR . 2.2 mt-30 -95.99 143.51 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 17' ' ' LEU . 2.5 mt -133.58 152.89 51.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' SER . 1.6 m-85 -104.29 145.22 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 12' ' ' THR . 35.8 t -135.02 112.02 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 4.4 ptmt -105.12 166.99 10.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -121.87 -172.96 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.16 -22.09 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -90.66 -29.46 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.17 4.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.79 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -111.63 142.59 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.464 HG21 ' NE2' ' A' ' 2' ' ' GLN . 10.1 m -110.06 153.38 24.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -144.51 152.55 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.92 100.95 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD11 HD13 ' A' ' 3' ' ' LEU . 38.5 mt -133.21 157.29 45.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.2 mm-40 -108.38 157.73 35.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.1 Cg_endo -60.12 -16.33 39.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.207 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 p -81.81 -23.49 36.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' THR . 87.7 m-20 -60.77 173.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -129.72 163.4 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.0 t -48.57 -29.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -48.85 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.23 -49.44 77.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.93 -53.51 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 15.8 mttt -49.91 -48.2 51.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.1 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -56.1 -36.31 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 21.9 mt -75.89 -20.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -88.83 -22.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -27.33 19.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.229 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -100.56 -52.13 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 1.8 mm-40 -89.81 -7.32 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 64.03 25.89 69.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.562 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 34' ' ' GLU . 3.8 mm -97.39 131.64 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 98.7 Cg_endo -80.28 142.8 15.26 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.2 Cg_endo -59.0 -22.56 64.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.835 2.356 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.58 -36.44 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 6.6 mt-30 -102.35 3.14 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 8.6 mt-30 -91.71 130.32 37.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.21 101.33 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.68 118.95 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.6 mm -106.44 121.52 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CZ ' ' CD2' ' A' ' 61' ' ' LEU . 6.5 t80 -129.92 109.41 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.49 59.99 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.65 18.56 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.647 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 14.0 mttp -126.64 129.16 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -86.65 126.46 34.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.44 130.26 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -96.23 131.94 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.59 93.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.61 -15.13 1.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -92.0 158.87 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 47.4 p -95.59 142.62 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 61' ' ' LEU . 9.9 mt -46.75 -38.49 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -32.54 71.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 55' ' ' THR . 73.7 m-20 -60.87 -21.49 63.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -104.07 25.0 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 44.38 39.58 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 10.2 mt -70.96 156.55 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -143.91 149.1 36.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 134.4 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.45 81.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 1.8 m -124.95 163.0 23.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -120.41 93.67 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.38 136.42 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.496 ' NE2' ' HD3' ' A' ' 6' ' ' LYS . 11.2 m170 -96.41 137.14 35.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tt -107.9 123.04 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -117.89 147.61 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.866 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.911 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 3.2 ptt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.39 138.23 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 mt -123.4 145.14 49.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 m-85 -108.54 105.29 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 t -94.12 134.61 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -121.05 172.85 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.452 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 63.6 p -123.11 172.66 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -15.87 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -91.18 -54.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.34 -39.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.562 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 124.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -123.68 117.67 25.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 168.17 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 15' ' ' VAL . 93.4 m -129.67 142.32 50.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' HG23 ' A' ' 14' ' ' THR . 9.2 m -137.4 149.41 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -98.72 111.97 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.6 tp -138.41 174.96 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.5 mm-40 -118.48 157.18 50.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 35.8 Cg_endo -64.86 -17.7 60.2 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.284 . . . . 0.0 112.193 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -85.97 -21.8 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.8 m-20 -59.88 179.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.7 p -135.07 166.93 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.554 ' CG1' ' CE ' ' A' ' 27' ' ' LYS . 55.8 t -46.59 -45.92 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -44.02 -51.05 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.75 -54.18 45.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.02 -53.73 30.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' CE ' ' CG1' ' A' ' 23' ' ' VAL . 15.6 mttt -57.93 -42.39 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.3 53.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -67.01 -46.96 72.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.689 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD13 ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -61.8 -18.38 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.7 tt0 -89.9 -25.65 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -42.76 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -54.34 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.87 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 127.04 30.26 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.579 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG21 ' HD2' ' A' ' 37' ' ' PRO . 5.9 mt -100.22 131.97 23.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.4 Cg_endo -81.33 145.83 15.26 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.739 2.293 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.04 -26.71 82.68 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.772 2.314 . . . . 0.0 112.306 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 1.2 p-10 -72.89 -9.03 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.65 6.17 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' A' ' 30' ' ' ILE . 9.6 mt-30 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -126.75 102.57 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 50' ' ' LEU . 26.4 mt -89.99 109.33 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.85 76.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -69.62 94.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.79 22.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.92 -5.13 24.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -94.12 108.88 20.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -82.62 111.14 18.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 43' ' ' LEU . 46.6 mt -74.58 125.91 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.96 140.19 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 135.02 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.76 -19.8 40.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.85 144.33 26.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.5 p -90.58 143.3 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 18' ' ' GLU . 20.1 mt -42.7 -45.94 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -54.69 -44.6 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 55' ' ' THR . 94.0 m-20 -45.37 -37.98 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CD2' HD21 ' A' ' 50' ' ' LEU . 64.5 m-85 -90.65 23.78 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' SER . 4.1 p-10 38.83 69.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.88 165.4 12.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -130.83 170.38 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -66.4 124.22 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 69.4 71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -103.12 158.94 15.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.7 m -111.78 96.62 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.53 132.31 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -91.18 99.58 12.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 30' ' ' ILE . 15.1 tp -87.0 114.32 23.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 27.3 m -118.44 150.19 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.89 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 15' ' ' VAL . 31.2 tp60 -69.79 121.32 17.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.448 HD21 ' SD ' ' A' ' 1' ' ' MET . 13.2 mt -128.09 153.93 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -109.71 143.1 39.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.69 118.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 68' ' ' HIS . 14.3 ptmm? -95.06 136.31 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -94.39 -160.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp -82.0 -17.55 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -95.85 4.88 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.05 -28.58 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -38.2 131.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.54 111.94 24.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 14' ' ' THR . 1.5 tp -93.35 141.01 28.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.409 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.0 m -119.03 99.54 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' NE2' ' A' ' 2' ' ' GLN . 17.1 m -112.81 158.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -123.79 126.46 46.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 1' ' ' MET . 8.9 mt -140.77 -174.23 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.28 154.54 48.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.18 -18.64 64.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.796 2.331 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 p -82.04 -23.33 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -57.37 174.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -130.54 165.89 21.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 99.6 t -44.46 -43.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 52' ' ' ASP . 2.1 mt-10 -52.16 -52.23 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.656 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.16 -51.19 62.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 17' ' ' LEU . 33.2 tp -53.83 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.599 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 41.0 mttt -50.59 -44.4 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.42 -53.2 9.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.759 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' CE ' HD22 ' A' ' 17' ' ' LEU . 1.8 mttp -60.75 -39.46 88.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 ' O ' HG21 ' A' ' 30' ' ' ILE . 8.2 mt -56.68 -29.74 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -85.59 -21.13 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -14.5 33.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.31 -58.0 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.92 -6.31 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 57.58 32.61 65.2 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.572 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.5 123.19 55.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.708 0.29 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.06 138.2 71.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.8 2.333 . . . . 0.0 112.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 -25.83 51.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.01 -22.24 65.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.15 14.97 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.741 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 27' ' ' LYS . 30.7 mt-30 -90.71 117.0 29.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' CB ' HG23 ' A' ' 70' ' ' VAL . 3.5 mtt85 -116.14 104.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.756 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 50' ' ' LEU . 69.6 mt -89.84 115.9 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.512 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 21.3 mm -114.68 89.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 12.4 t80 -101.81 104.68 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.16 38.35 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 0.9 87.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 10.0 mttt -98.43 144.96 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -106.24 104.48 14.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 43' ' ' LEU . 5.3 mt -54.73 120.22 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -93.57 127.0 39.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.5 t70 -56.28 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.74 -21.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -91.0 160.14 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -94.72 144.24 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.9 mt -40.56 -43.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -62.93 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -50.59 -34.62 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 30.3 m-85 -96.21 25.98 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 41.19 78.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.5 mt -105.7 110.04 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -90.02 178.82 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -78.21 143.34 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.01 49.66 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -99.64 148.11 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -110.81 113.39 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.65 140.78 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 4.4 m170 -91.94 121.26 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -114.28 115.67 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' CB ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -115.03 142.45 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 40' ' ' GLN . 10.3 tp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.453 ' CB ' ' HD2' ' A' ' 63' ' ' LYS . 14.6 ptt? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.25 142.73 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 17' ' ' LEU . 65.5 mt -130.63 142.22 50.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.85 136.49 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.33 121.08 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 5.8 ptpt -106.93 153.05 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -105.28 -174.62 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 70' ' ' VAL . 5.1 mt -78.13 -1.27 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -113.66 -8.94 13.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.17 -7.62 44.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.574 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 97.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -91.87 149.05 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.54 162.48 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -126.22 110.15 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.05 173.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -125.47 121.86 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HB2' HD13 ' A' ' 3' ' ' LEU . 5.5 mt -148.93 178.75 8.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 mm-40 -113.92 156.85 43.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.6 Cg_endo -64.66 -21.03 65.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.763 2.309 . . . . 0.0 112.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 p -85.55 -17.83 35.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -53.73 163.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -109.25 156.93 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 t -51.14 -34.5 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -44.12 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.56 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -58.7 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.438 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -57.3 -54.61 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 2.7 mttm -54.12 -42.87 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.457 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -60.86 -44.06 97.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 30' ' ' ILE . 8.7 mt -68.0 -17.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -88.32 -24.71 23.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -13.49 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -112.87 -55.1 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' CB ' HD12 ' A' ' 36' ' ' ILE . 22.1 mt-10 -91.43 -3.71 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 62.19 24.1 64.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.392 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD12 ' CB ' ' A' ' 34' ' ' GLU . 4.0 mt -94.57 124.94 53.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.3 Cg_endo -78.75 141.38 17.13 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.689 2.259 . . . . 0.0 112.6 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -57.59 -20.76 43.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.81 2.34 . . . . 0.0 112.047 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -72.11 -32.94 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.96 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -105.48 1.48 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.5 mt-30 -90.18 133.92 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.8 ttt-85 -128.84 96.53 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.8 138.73 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.042 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -137.94 127.85 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 6.2 t80 -116.71 111.99 20.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.09 45.83 15.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.5 25.44 67.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.57 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.74 94.14 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 119.93 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 59' ' ' TYR . 12.5 mt -71.4 152.18 43.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 16.5 mt-10 -125.89 122.6 36.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -49.78 111.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.42 -17.16 4.79 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -92.64 166.31 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.8 p -106.47 141.3 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 ' O ' HD11 ' A' ' 61' ' ' LEU . 78.9 mt -45.09 -38.34 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 55' ' ' THR . 76.4 m-20 -58.55 -21.55 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' ASN . 62.6 m-85 -102.89 25.17 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' ND2' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 37.06 53.67 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -81.84 169.14 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.08 -170.26 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.15 132.37 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 58.41 73.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 32.5 m -103.26 159.79 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.0 m -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.4 mt -105.2 135.15 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 11.6 m170 -90.34 122.43 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.0 tt -100.15 108.5 20.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.526 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -113.7 151.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.849 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.756 0.312 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 135.4 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.75 142.19 51.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 64' ' ' GLU . 1.2 m-85 -105.25 111.62 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 13' ' ' LEU . 22.9 t -108.06 120.63 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -107.74 165.14 11.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -119.73 -179.11 3.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -9.16 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 -23.15 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 14.45 11.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 128.53 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 0.0 110.775 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -114.56 132.62 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD13 ' HB ' ' A' ' 5' ' ' VAL . 4.5 pp -127.51 140.14 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 m -95.64 122.23 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG12 ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -121.81 147.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.28 116.06 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 mt -141.07 -178.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 5.6 mm-40 -127.3 151.83 75.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HG3' ' CE ' ' A' ' 1' ' ' MET . 32.5 Cg_exo -58.16 -17.43 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.801 2.334 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.6 p -88.17 0.15 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' THR . 1.3 m-20 -74.05 158.31 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 HG23 HG21 ' A' ' 55' ' ' THR . 60.6 p -112.01 160.74 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 95.7 t -48.89 -47.26 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.41 -41.23 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -61.99 -60.64 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 26' ' ' LEU . 7.9 tp -48.69 -43.25 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 110.348 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 1.7 mmtt -57.21 -44.74 83.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.306 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.77 -41.83 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -60.53 -43.45 97.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 34' ' ' GLU . 14.2 mt -70.86 -19.27 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 10.5 tt0 -89.05 -27.44 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -9.91 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE3' HG12 ' A' ' 15' ' ' VAL . 8.7 mtmm -119.24 -56.34 2.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HB2' HG22 ' A' ' 30' ' ' ILE . 4.5 mm-40 -90.93 -1.15 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.53 34.71 35.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.602 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mt -107.45 120.65 46.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.3 Cg_exo -60.94 153.48 63.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.812 2.342 . . . . 0.0 112.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 36.9 Cg_exo -60.33 -42.77 39.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.849 2.366 . . . . 0.0 112.336 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.0 -20.3 57.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -107.94 22.43 15.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 44.4 mt-30 -110.67 133.72 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 1.3 ttt85 -140.33 86.31 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.635 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 12.8 mt -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 42' ' ' ARG . 8.8 mm -121.54 78.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 45.3 t80 -54.56 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 52.69 38.65 26.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 5.48 53.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 7.8 mttm -108.53 105.42 15.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 44' ' ' ILE . 1.2 mt-30 -73.23 104.35 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.434 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.9 mt -50.36 126.96 16.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 22.9 mm-40 -101.41 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -39.82 146.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.027 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 -13.43 59.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 51' ' ' GLU . 7.0 mmt180 -95.1 157.3 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 HG21 HG23 ' A' ' 22' ' ' THR . 12.5 p -94.3 157.66 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 56' ' ' LEU . 4.1 mt -59.56 -33.52 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.43 -7.96 50.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 50' ' ' LEU . 35.6 m-85 -119.01 27.22 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 8.6 p30 49.76 29.42 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -50.19 133.19 23.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -172.28 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.6 ttpp -87.68 117.84 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . 6.1 mt-10 79.27 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -77.51 154.12 32.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -112.94 97.09 6.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.508 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 9.2 mt -98.27 144.95 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.449 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 10.6 m170 -101.82 113.73 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD12 HD21 ' A' ' 43' ' ' LEU . 5.3 tp -93.07 116.89 29.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -125.7 149.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.1 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.78 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.86 160.09 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -147.82 150.44 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -116.87 138.29 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -130.48 118.03 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 147.48 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -104.25 -158.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.69 33.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 -44.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.87 -37.74 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' OE2' ' A' ' 34' ' ' GLU . 27.6 ttmt -42.73 106.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.1 139.86 30.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.3 125.82 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.45 108.38 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.18 158.67 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.19 129.54 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' A' ' 29' ' ' LYS . 1.8 tp -147.29 -170.66 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 2.2 mm-40 -136.35 153.58 76.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 23.8 Cg_endo -61.56 -20.85 70.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -81.31 -16.56 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 55' ' ' THR . 14.5 m-20 -69.92 166.12 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.4 p -120.5 167.73 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.6 t -50.2 -46.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -44.46 16.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.93 -52.19 60.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.54 -52.16 41.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HE3' HG11 ' A' ' 23' ' ' VAL . 1.8 mmtt -55.09 -52.05 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.08 -41.53 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HE2' HD11 ' A' ' 17' ' ' LEU . 6.5 mmtm -64.31 -46.16 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 9.0 mt -61.07 -26.12 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 59.5 tt0 -85.06 -15.59 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -34.41 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -99.35 -51.2 3.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 4.3 mm-40 -93.71 3.53 55.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.276 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.1 37.32 5.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.45 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 37.0 mt -104.36 121.82 46.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.66 133.85 54.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.836 2.357 . . . . 0.0 112.231 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.83 -31.0 79.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.254 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.53 -31.38 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.83 23.65 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 39.7 mt-30 -104.18 120.74 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 12.5 ttp180 -115.17 89.61 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 69' ' ' LEU . 1.8 mt -90.15 113.12 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.525 HG23 ' CA ' ' A' ' 47' ' ' GLY . 54.3 mt -117.14 78.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -61.99 110.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.86 37.65 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' CA ' HG23 ' A' ' 44' ' ' ILE . . . 85.16 4.55 86.51 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -103.06 120.56 40.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.0 120.51 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.03 131.43 40.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.21 125.39 40.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 7.0 t70 -54.52 99.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.38 -10.89 3.8 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -91.32 146.99 23.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' ASP . 5.7 p -90.43 139.16 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 10.0 mt -41.85 -35.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -64.79 -34.1 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' THR . 17.6 m-20 -56.59 -27.97 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -102.48 29.84 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 39.04 41.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 149.31 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.93 -179.26 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 122.26 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.82 82.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -111.68 137.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 m -97.53 100.22 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.93 149.08 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 8.6 m170 -97.34 128.3 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD12 ' HG2' ' A' ' 41' ' ' GLN . 1.9 tp -113.5 128.61 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.21 -162.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG3' HD23 ' A' ' 3' ' ' LEU . 17.9 ptt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.435 ' HG3' ' HG3' ' A' ' 16' ' ' GLU . 3.7 mt-30 -91.15 158.78 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.437 HD23 ' HG3' ' A' ' 1' ' ' MET . 5.8 mt -143.42 136.42 27.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -104.27 128.93 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 69' ' ' LEU . 86.9 t -119.5 108.29 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -99.01 139.97 33.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -96.44 -164.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -3.44 36.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 2.0 p -102.61 -59.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . 159.94 -38.06 0.46 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 124.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -108.35 115.35 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.98 134.61 34.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -107.21 123.76 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.95 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 4.3 mp0 -111.95 120.22 41.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' HB3' ' OD2' ' A' ' 21' ' ' ASP . 50.2 mt -148.52 176.63 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -113.92 158.69 38.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 30.3 Cg_endo -63.3 -18.23 63.81 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.623 2.215 . . . . 0.0 112.202 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.49 -15.82 57.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' A' ' 17' ' ' LEU . 67.0 m-20 -67.97 162.53 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 13.2 p -117.13 161.02 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 50' ' ' LEU . 76.5 t -47.94 -37.96 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.53 -46.4 66.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.409 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.22 -52.43 62.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 43' ' ' LEU . 37.0 tp -50.55 -48.39 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.228 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 17.3 mmtt -57.71 -47.51 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.35 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.48 23.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.16 -48.3 80.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.439 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.512 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 7.7 mt -58.29 -23.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.509 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 12.4 tt0 -90.52 -22.82 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.686 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -5.0 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -120.73 -62.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -90.17 -15.31 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 69.08 38.19 83.37 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.0 mt -102.21 130.88 23.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.47 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.3 Cg_exo -60.92 149.22 89.72 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.587 2.191 . . . . 0.0 112.041 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 38.9 Cg_exo -59.97 -36.56 89.56 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.928 2.419 . . . . 0.0 112.614 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.22 0.64 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.335 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -116.35 6.36 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 29.0 mt-30 -107.05 92.2 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.255 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 6.5 ttm180 -96.11 92.04 6.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.333 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.526 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.7 mt -89.6 121.06 31.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 19.4 mm -111.39 71.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.961 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' CE2' ' OD1' ' A' ' 60' ' ' ASN . 41.8 t80 -52.1 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.32 25.85 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.42 -1.53 25.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.73 119.81 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -87.45 96.88 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HB3' HG23 ' A' ' 23' ' ' VAL . 17.3 mt -55.56 118.14 4.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.3 mt-10 -109.55 110.14 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -34.9 132.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.1 -32.46 5.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.22 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -89.95 148.38 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.76 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 30.6 p -92.41 154.33 18.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.98 -39.54 59.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -70.37 -17.42 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 77.4 m-20 -81.7 -10.3 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 34.2 m-85 -107.24 -86.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.77 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 42.5 p-10 173.03 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -79.25 114.37 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.37 175.98 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 1.0 OUTLIER -64.63 116.45 6.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 32.8 mt-10 64.79 81.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -121.03 164.0 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -103.68 135.85 44.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.796 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.526 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 8.2 mt -129.43 142.27 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.89 100.31 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 6.3 tt -82.86 97.84 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 1.7 t -97.76 158.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.874 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.164 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE1' ' N ' ' A' ' 19' ' ' PRO . 17.6 ttp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -78.75 155.82 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.8 mt -139.52 143.17 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -111.6 113.72 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 12' ' ' THR . 22.3 t -104.32 120.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.83 145.06 29.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 p -110.0 167.35 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.982 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 70' ' ' VAL . 9.7 mp -58.81 -20.37 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -95.56 -1.18 51.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.92 -34.74 4.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.0 tptt -42.18 100.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.3 m -101.01 120.73 40.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -110.19 148.94 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 17.6 m -119.5 147.17 44.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 14' ' ' THR . 19.3 m -148.77 175.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.5 121.9 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.035 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 21' ' ' ASP . 9.1 tp -150.19 160.68 43.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -99.24 156.27 35.62 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.7 Cg_endo -64.25 -20.92 67.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.821 2.347 . . . . 0.0 112.289 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -73.74 -15.99 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' HG ' ' A' ' 17' ' ' LEU . 2.4 m-20 -66.07 160.56 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -110.87 162.85 14.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 99.0 t -48.17 -48.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -43.53 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.41 -56.44 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.1 tp -50.02 -55.47 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 41' ' ' GLN . 39.3 mttp -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.471 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -62.56 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 62.3 mt -61.9 -19.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.9 tt0 -82.61 -30.45 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -3.6 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -115.37 -59.3 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.068 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 10.7 mm-40 -99.95 12.14 37.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.1 38.09 38.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.755 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.1 mt -106.45 124.8 34.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 90.8 Cg_endo -80.91 150.12 18.14 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.892 2.395 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.2 Cg_exo -59.83 -31.09 93.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.833 2.355 . . . . 0.0 112.185 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 5.0 p-10 -67.52 -26.42 66.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.0 mt-30 -108.94 7.54 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.525 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 15.5 mt-30 -100.25 127.11 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 70' ' ' VAL . 52.7 mtp85 -131.84 92.64 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.596 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.33 134.17 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.91 109.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -113.25 127.92 56.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.54 29.74 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.213 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 21.38 68.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.73 110.33 16.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 104.01 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 11.0 mt -52.23 122.98 9.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -97.9 118.15 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -49.37 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.64 -18.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.33 160.61 14.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 p -90.05 159.56 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 61' ' ' LEU . 5.4 mt -59.06 -40.4 85.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -26.19 64.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 97.6 m-20 -67.3 -8.65 33.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 89.4 m-85 -117.65 27.14 9.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 p30 40.26 41.06 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 56' ' ' LEU . 7.2 mt -67.04 161.87 23.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -147.44 166.22 27.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -43.08 141.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 41.63 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -105.28 156.72 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -116.67 95.05 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.09 144.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.37 103.01 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.3 tp -79.76 118.68 21.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -110.66 152.53 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 ttp . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.862 0.363 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.71 110.79 22.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -111.62 163.93 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 65' ' ' SER . 16.1 m-30 -119.15 160.77 21.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -149.03 96.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 14.3 ptmt -89.86 157.87 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -122.89 -167.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.02 4.12 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 14.9 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.23 11.22 70.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 3.8 tttp -87.02 122.75 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -104.63 114.88 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.06 160.81 14.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 m -147.27 119.77 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.57 165.34 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.18 107.73 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -129.48 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 150.78 44.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 16.5 Cg_endo -57.73 -21.28 47.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.811 2.341 . . . . 0.0 112.206 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.9 p -76.75 -15.6 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.23 165.37 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -124.96 163.4 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 77.5 t -44.43 -49.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -48.39 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.719 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -56.99 -55.31 36.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' A' ' 43' ' ' LEU . 2.3 tp -45.75 -53.05 10.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.366 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 6.3 mttt -55.53 -44.65 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.256 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.13 -38.37 38.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -66.48 -46.81 75.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.253 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 30' ' ' ILE . 8.1 mt -60.13 -20.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 8.7 tt0 -83.55 -30.41 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.591 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -9.67 46.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -105.54 -67.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 6.2 mm-40 -89.84 5.74 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 37.24 87.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 8.2 mt -112.85 137.61 21.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 78.6 Cg_endo -78.73 149.63 23.59 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.637 2.225 . . . . 0.0 111.885 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.49 -33.16 91.78 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 2.295 . . . . 0.0 112.537 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.84 4.84 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.612 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.532 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 88.0 mt-30 -124.71 3.79 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.642 0.258 . . . . 0.0 111.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -119.41 128.94 54.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.361 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.44 ' O ' HG21 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -117.21 122.12 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.518 ' CD1' HD22 ' A' ' 26' ' ' LEU . 7.5 mt -112.96 130.43 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -126.36 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -80.18 121.84 26.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.84 29.85 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.87 -8.07 80.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -91.65 121.55 33.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 103.28 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 23' ' ' VAL . 14.9 mt -45.17 130.49 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -100.92 113.85 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 53.9 t0 -54.51 90.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.27 -24.18 0.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 166.79 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 59.9 p -92.17 170.98 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 5.6 mt -68.28 -51.34 46.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.765 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -16.83 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 37.8 m-20 -70.21 -16.67 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 61' ' ' LEU . 57.7 m-85 -111.42 36.54 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER 36.98 34.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 59' ' ' TYR . 3.7 mt -69.23 118.68 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -94.04 -175.4 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -71.42 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 66.75 73.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.2 m -104.75 146.36 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -98.45 107.19 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.9 mt -101.49 131.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.0 m170 -90.44 117.57 29.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -98.76 130.34 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -120.62 137.95 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.31 147.85 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 61' ' ' LEU . 16.4 mt -138.81 129.21 25.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 65' ' ' SER . 5.6 m-30 -92.65 139.6 30.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.6 144.1 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -130.45 153.53 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -117.16 -156.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.73 14.24 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -118.11 -8.74 10.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.49 80.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -81.67 126.67 32.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.3 129.24 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.8 158.83 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -132.61 114.18 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 m -122.84 157.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.7 108.06 17.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -138.54 147.08 42.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.1 mm-40 -92.06 156.96 41.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 29.4 Cg_endo -63.11 -13.79 37.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.051 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 p -85.48 -29.34 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' THR . 13.0 m-20 -56.9 158.16 5.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.778 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.4 p -109.45 159.63 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 98.2 t -44.88 -47.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.4 -49.25 18.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -58.05 -49.81 75.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 43' ' ' LEU . 8.6 tp -49.61 -50.15 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -54.48 -42.87 71.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.261 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.66 -43.12 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -39.79 91.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.184 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 HG21 ' HB ' ' A' ' 36' ' ' ILE . 9.8 mt -66.39 -22.83 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.554 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 53.9 tt0 -88.24 -31.12 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -11.42 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -114.16 -63.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.83 -20.91 22.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 73.35 43.4 38.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 ' HB ' HG21 ' A' ' 30' ' ' ILE . 18.8 mt -111.62 132.27 21.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 39.7 Cg_exo -57.1 147.13 77.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.825 2.35 . . . . 0.0 112.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -58.02 -49.27 13.23 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.85 2.367 . . . . 0.0 112.369 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 -3.37 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -104.47 10.87 35.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -124.73 120.87 33.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.886 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -107.78 101.73 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD11 HD13 ' A' ' 50' ' ' LEU . 2.7 mt -89.84 103.44 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG21 ' C ' ' A' ' 47' ' ' GLY . 58.9 mt -107.17 83.47 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CD1' HG13 ' A' ' 67' ' ' ILE . 14.1 t80 -82.84 121.14 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.32 11.29 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' HG21 ' A' ' 44' ' ' ILE . . . 107.35 -18.41 35.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 137.95 32.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' O ' ' OE1' ' A' ' 51' ' ' GLU . 27.0 tt0 -89.41 127.63 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 43' ' ' LEU . 8.6 mt -69.98 139.05 52.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 49' ' ' GLN . 2.6 mp0 -97.61 130.52 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -61.04 104.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.41 -8.5 4.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -99.54 152.42 20.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 18.1 p -90.14 145.62 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 7.0 mt -50.08 -35.49 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -72.16 -12.44 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 84.9 m-20 -85.53 -5.95 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.075 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 18.6 m-85 -113.61 -78.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 p-10 163.41 41.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -84.03 119.9 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -99.95 176.51 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 117.56 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.0 76.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.4 m -108.83 -175.48 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.8 m -128.89 133.02 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.522 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.9 mp -136.57 138.93 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 11.3 m170 -90.19 112.6 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 4.4 tt -99.07 105.64 17.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 42' ' ' ARG . 29.2 m -112.21 142.91 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 146.23 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 119.1 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -92.33 137.93 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mpp_? -37.71 150.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.05 -70.7 0.49 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.491 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -112.41 150.59 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.33 164.82 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -111.4 139.31 46.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.12 118.9 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -115.37 145.24 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -96.14 177.87 5.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' CG1' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -69.12 -13.65 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.31 -17.92 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 117.21 -41.31 2.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.273 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -36.65 132.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -129.94 143.97 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' OE2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -136.88 164.01 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -123.18 128.52 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.12 163.58 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.57 113.63 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' CG ' ' A' ' 21' ' ' ASP . 10.4 mt -141.97 175.09 10.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.5 mm-40 -107.42 158.12 33.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.2 Cg_endo -65.06 -14.23 44.12 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.248 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.9 m-20 -50.34 166.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 3.0 p -118.35 161.22 20.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -51.04 -39.53 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -42.68 76.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.505 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.51 -59.51 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -48.65 -54.4 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 14.7 mmtt -55.56 -50.83 68.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.541 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.37 -45.62 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.728 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -42.92 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 5.8 mt -62.24 -19.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.019 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.4 tt0 -88.6 -27.56 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -31.51 16.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -90.95 -52.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.492 ' OE2' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -89.84 -9.34 49.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 68.64 22.6 75.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.614 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.7 mt -110.76 117.33 50.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.207 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 29.6 Cg_exo -61.81 153.23 69.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.742 2.295 . . . . 0.0 112.191 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 41.8 Cg_endo -67.82 -28.92 35.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.86 -17.0 60.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 21.85 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 29.6 mt-30 -100.92 122.68 43.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.7 ttt180 -117.67 90.83 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' GLN . 15.1 mt -91.05 131.75 36.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.416 ' CG2' ' HA2' ' A' ' 47' ' ' GLY . 71.0 mt -137.29 93.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 61' ' ' LEU . 16.8 t80 -74.55 107.25 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.22 23.29 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.036 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 44' ' ' ILE . . . 108.58 -10.13 35.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -91.21 109.78 21.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.68 120.96 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.41 140.93 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -111.61 133.56 53.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.35 146.86 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.29 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.67 149.58 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.6 p -89.74 166.79 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -67.44 -50.19 60.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -60.26 -27.32 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 55' ' ' THR . 28.5 m-20 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 65.7 m-85 -93.14 21.22 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER 41.96 70.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.2 mm? -93.32 179.3 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 19.7 mm100 -143.52 164.32 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 139.05 56.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.99 71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -112.77 135.32 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -127.13 131.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -92.52 114.94 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -103.45 131.33 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.05 141.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.72 134.72 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -47.88 148.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.09 18.6 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -171.91 132.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.08 45.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.51 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . 1.7 mp0 -87.72 160.24 18.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.736 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 2' ' ' GLN . 29.2 mt -145.92 140.77 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.969 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -102.19 126.41 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.63 99.11 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -93.77 139.73 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -99.86 -164.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.58 -12.3 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -90.5 -30.19 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.93 14.6 7.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -90.59 110.2 21.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 m -98.31 114.73 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.066 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.29 132.92 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -107.69 96.16 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.11 159.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.72 112.67 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD23 ' CE ' ' A' ' 29' ' ' LYS . 3.8 mt -144.63 177.76 8.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -111.45 156.26 41.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.8 Cg_endo -58.24 -22.97 59.89 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.806 2.338 . . . . 0.0 112.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -75.28 -35.77 61.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HB2' HD11 ' A' ' 56' ' ' LEU . 16.4 m-20 -46.11 149.06 0.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -99.39 157.21 16.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' HD2' ' A' ' 27' ' ' LYS . 62.0 t -46.97 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CG ' ' OD1' ' A' ' 52' ' ' ASP . 2.7 mt-10 -58.6 -51.55 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.457 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 28.4 m120 -55.07 -48.26 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.323 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -55.96 -55.01 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.46 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 15.2 mttp -52.78 -40.85 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 25' ' ' ASN . . . -54.7 -46.04 74.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.547 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' CE ' HD23 ' A' ' 17' ' ' LEU . 3.3 mptp? -57.45 -45.57 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.318 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.469 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.1 mt -68.45 -17.99 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -90.26 -35.91 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.645 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.96 5.52 40.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -126.62 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -103.29 -10.8 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.61 32.28 67.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.371 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG21 ' HD2' ' A' ' 37' ' ' PRO . 1.8 mt -100.12 125.97 38.04 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.228 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' HG21 ' A' ' 36' ' ' ILE . 85.4 Cg_endo -79.72 142.21 15.89 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.819 2.346 . . . . 0.0 112.526 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 58.1 Cg_exo -52.28 -22.36 15.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.889 2.393 . . . . 0.0 112.348 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -47.65 79.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.6 mt-30 -93.43 0.44 56.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.177 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' OE1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt-30 -89.75 106.54 18.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.337 . . . . 0.0 111.208 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 15.1 mtp180 -110.86 103.06 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' HD11 ' A' ' 44' ' ' ILE . 11.6 mt -90.08 127.09 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 43' ' ' LEU . 5.1 mm -126.17 99.79 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CZ ' HD22 ' A' ' 61' ' ' LEU . 45.5 t80 -99.35 121.05 40.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.11 30.75 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.53 22.43 53.8 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -121.24 123.21 41.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.47 113.14 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 59' ' ' TYR . 9.5 mt -66.42 148.43 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -129.05 134.06 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 12.2 t0 -47.47 114.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.95 -25.68 3.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.585 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 148.43 22.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 36.9 p -90.08 157.65 17.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 21' ' ' ASP . 22.2 mt -59.42 -42.78 92.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 48.0 t -61.22 -32.48 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.78 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 91.6 m-20 -57.87 -29.77 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CE2' HD21 ' A' ' 50' ' ' LEU . 85.1 m-85 -92.8 23.21 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.95 42.21 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mt -75.24 125.44 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -95.76 -174.85 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -71.11 139.0 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 50.34 68.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -92.97 174.73 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.4 m -126.47 101.82 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.43 146.48 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.82 110.52 22.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tt -88.03 115.38 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -109.68 150.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.059 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.8 mm? -96.9 125.99 41.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -35.53 150.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.961 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -34.66 146.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.044 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.88 -179.23 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.69 63.21 5.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.2 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.97 99.83 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.6 mt -96.34 163.55 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 m-85 -113.96 158.98 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.459 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 64.5 t -143.13 105.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 16.5 ptmt -95.84 151.02 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.55 -176.38 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HG ' HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -85.04 -7.63 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -96.63 -44.45 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.35 38.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 106.44 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 23.5 m -103.08 125.72 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HG ' ' HB ' ' A' ' 5' ' ' VAL . 1.7 pp -115.48 -173.31 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -147.77 139.25 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.56 152.76 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.28 103.31 15.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 1' ' ' MET . 13.5 mt -132.53 140.54 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.52 151.5 41.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HB3' ' HB2' ' A' ' 57' ' ' SER . 75.0 Cg_exo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 p -65.64 -40.55 92.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD2' HD23 ' A' ' 17' ' ' LEU . 2.0 m-20 -45.68 155.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 161.97 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 22.3 t -46.36 -37.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -59.67 -50.25 74.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -53.34 -44.54 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.1 tp -56.96 -52.82 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 18.9 mttt -58.32 -50.72 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.07 -45.88 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -62.2 -47.5 84.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.469 HD13 HD11 ' A' ' 69' ' ' LEU . 63.6 mt -58.48 -19.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 13.2 tt0 -82.41 -35.8 27.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -11.64 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 -61.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' HB2' HG21 ' A' ' 30' ' ' ILE . 16.3 mt-10 -89.55 -8.61 52.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.3 32.59 68.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.425 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -121.97 120.23 28.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 111.263 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 32.2 Cg_exo -58.17 153.26 47.07 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 112.101 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 52.2 Cg_exo -54.88 -43.21 61.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 m-20 -68.68 -22.65 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -89.8 9.41 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -142.51 144.75 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.0 111.011 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -126.03 122.66 36.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mt -92.96 126.19 37.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mm -129.87 108.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -114.64 124.43 51.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.91 37.96 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.23 9.26 67.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 107.13 14.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -65.67 133.37 50.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.83 134.25 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.6 118.29 36.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -46.67 143.68 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.3 -15.58 62.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.578 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -92.48 167.26 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -105.72 153.13 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -61.16 -38.5 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 38.9 t -59.76 -23.7 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -70.84 -32.47 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 55.9 m-85 -98.66 33.18 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 6.6 p30 41.94 62.0 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -91.22 111.63 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.05 -177.73 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -77.44 135.68 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 4.9 mt-10 74.89 40.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -82.78 165.98 19.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 m -126.64 118.26 24.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -113.57 127.47 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.496 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.5 m170 -90.08 112.68 24.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD11 HD13 ' A' ' 30' ' ' ILE . 8.3 tt -95.09 116.17 28.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG11 ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.15 143.07 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 72' ' ' ARG . 1.3 tm? -72.2 64.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER 40.74 96.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.7 mt -85.39 -176.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.38 73.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.52 104.78 0.61 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.513 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HB3' ' O ' ' A' ' 17' ' ' LEU . 8.4 ttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -100.1 152.15 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 56' ' ' LEU . 2.6 mt -140.7 145.97 37.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 65' ' ' SER . 40.8 m-85 -114.58 128.51 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.57 115.56 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 153.24 19.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 p -109.75 -175.43 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 15.65 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -126.09 13.12 7.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 -11.16 56.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 126.41 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -125.2 130.09 51.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HB3' ' OE2' ' A' ' 34' ' ' GLU . 2.2 pp -109.59 169.36 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -134.98 122.93 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -114.91 153.81 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.0 mt-10 -128.83 107.22 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.77 168.68 22.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -91.36 149.9 40.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 79.6 Cg_exo -46.78 -22.42 1.9 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.238 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 p -67.58 -39.71 84.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.74 157.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.7 p -115.26 169.08 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 51' ' ' GLU . 57.9 t -49.53 -29.66 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.736 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -45.52 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 16.3 m120 -62.24 -52.82 62.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.449 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 15' ' ' VAL . 23.0 tp -54.1 -47.32 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.4 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 27.0 mttm -63.79 -52.07 61.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 -44.76 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' CE ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.52 -48.47 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.51 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 69' ' ' LEU . 36.7 mt -59.8 -19.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.0 tt0 -89.59 -33.77 16.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.29 -11.69 40.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.8 mttp -104.86 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' OE2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 mm-40 -89.98 -12.27 39.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 74.97 27.71 63.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.411 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -104.59 133.14 20.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 0.0 111.264 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.427 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 87.2 Cg_endo -81.18 147.87 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 45.3 Cg_exo -56.07 -21.19 33.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -24.54 55.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 38.0 mt-30 -113.97 3.97 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.9 mt-30 -89.87 108.29 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.073 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 7.1 ttt180 -105.53 98.95 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.1 mt -89.94 118.48 29.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.1 mm -123.37 102.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -103.32 110.44 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.23 40.57 27.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -9.46 57.12 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 120.21 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.37 112.46 21.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.94 146.73 31.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.9 mt-10 -114.51 128.62 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 103.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.75 -13.52 3.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.74 160.44 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 32.8 p -95.2 163.89 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' CD1' HD13 ' A' ' 3' ' ' LEU . 5.8 mt -66.12 -54.4 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 1.3 t -50.61 -37.55 40.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 83.2 m-20 -48.17 -29.7 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -93.05 26.34 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 38.81 33.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.17 160.9 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.09 178.05 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.87 133.07 55.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 46.95 84.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 69.3 m -104.85 172.37 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.9 m -122.32 107.71 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 67' ' ' ILE . 2.7 mp -112.82 140.55 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -93.83 129.16 40.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 30' ' ' ILE . 7.7 tt -107.9 116.63 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.22 144.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -82.85 123.95 29.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 8.0 ttm180 -40.38 113.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 tp -38.63 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' ARG . 1.3 ttt180 -61.67 -39.23 90.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 -80.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.539 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' LEU . 4.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -97.8 101.18 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 mt -99.38 140.04 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.39 133.7 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.35 101.24 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 5.8 ptpt -98.86 174.93 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -133.81 -161.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.64 -19.52 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -89.97 -8.35 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -43.23 1.73 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.85 115.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 6' ' ' LYS . 52.0 m -123.68 125.38 44.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -102.81 149.82 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 m -108.47 128.74 55.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 13' ' ' LEU . 3.4 m -132.21 158.55 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.7 117.74 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 1' ' ' MET . 4.8 mt -136.59 -174.69 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -129.36 152.03 78.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.83 -22.1 6.77 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.203 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.56 -39.5 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' HD21 ' A' ' 17' ' ' LEU . 76.9 m-20 -41.51 151.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -113.82 170.58 8.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 75.4 t -47.5 -43.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -53.71 -44.45 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 18.6 m120 -58.99 -54.45 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.571 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 tp -50.04 -54.87 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.486 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 68.8 mttt -59.12 -42.89 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.403 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.75 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 1.7 mmmt -73.76 -44.65 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.68 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD12 ' OE1' ' A' ' 41' ' ' GLN . 15.0 mt -58.0 -30.3 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.0 tt0 -81.14 -26.41 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -7.73 52.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -118.49 -52.82 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB3' ' CG1' ' A' ' 36' ' ' ILE . 1.8 mp0 -102.65 14.26 32.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.76 32.46 4.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' CG1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -98.17 125.85 42.15 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.5 Cg_endo -79.82 142.62 15.97 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.794 2.33 . . . . 0.0 112.404 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 35.7 Cg_exo -59.7 -23.45 71.71 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -64.83 -21.92 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.5 mt-30 -125.98 21.07 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 30.2 mt-30 -94.85 123.58 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 1.4 tpp180 -112.87 94.39 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 49' ' ' GLN . 22.5 mt -89.83 115.92 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.88 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.056 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CE2' HD21 ' A' ' 61' ' ' LEU . 10.5 t80 -126.88 126.77 43.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.52 42.26 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.25 32.04 75.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.87 109.51 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 44.5 tt0 -72.98 137.04 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.67 154.08 34.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -113.67 119.13 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.08 103.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.51 -12.79 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -103.28 168.4 9.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -96.81 164.96 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 HD12 ' A' ' 61' ' ' LEU . 5.8 mt -67.55 -38.93 84.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -55.68 -45.63 77.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -47.82 -28.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 88.8 m-85 -98.11 19.83 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.8 p-10 45.65 45.89 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.514 HD21 ' CE2' ' A' ' 45' ' ' PHE . 47.4 mt -77.67 117.35 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -98.29 173.74 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.2 tttm -68.59 119.6 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER 84.24 77.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' HD12 ' A' ' 67' ' ' ILE . 3.6 m -121.28 144.64 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -103.11 93.36 4.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 67' ' ' ILE . 3.5 mp -94.97 141.35 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -95.88 117.74 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tp -104.28 115.36 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -103.79 154.92 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.42 111.16 23.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.64 102.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 1.3 mt -71.4 -14.68 62.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 1.4 mtt180 157.75 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.15 14.58 18.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.521 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.417 ' CG ' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -84.83 156.83 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 17' ' ' LEU . 3.7 mt -140.05 120.86 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -94.03 105.77 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.6 t -101.16 103.32 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.77 148.89 24.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -115.5 -167.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.17 2.13 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -100.39 -4.67 28.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 -16.26 53.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 2.6 tttm -64.52 136.05 56.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -113.6 122.15 46.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -98.64 130.34 45.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' CG ' ' A' ' 2' ' ' GLN . 55.0 m -109.32 103.19 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.66 150.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 107.49 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CB ' HD11 ' A' ' 3' ' ' LEU . 1.3 tp -139.69 144.48 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.8 mp0 -90.74 153.49 45.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' OG ' ' A' ' 57' ' ' SER . 51.0 Cg_exo -52.96 -36.83 77.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -57.65 -35.15 70.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.8 m-20 -54.22 153.04 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -108.1 162.47 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 66.7 t -50.1 -30.18 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.995 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -49.86 73.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -59.28 -53.27 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tp -47.41 -52.14 17.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 17.1 mmtt -54.37 -53.8 49.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.66 -52.91 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.683 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -55.65 -43.99 76.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.527 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 56.8 mt -62.96 -19.12 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.932 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.8 tt0 -90.13 -22.98 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -8.88 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -118.7 -54.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' CB ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -97.25 9.66 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 48.39 31.61 9.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.533 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG13 ' CB ' ' A' ' 34' ' ' GLU . 2.9 mt -99.68 123.07 49.12 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.357 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 97.1 Cg_endo -80.91 149.6 17.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.746 2.297 . . . . 0.0 112.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 22.1 Cg_endo -61.6 -22.14 73.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.232 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.32 -25.64 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -115.89 6.59 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 10.6 mt-30 -93.66 123.99 37.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -119.61 91.61 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' HD13 ' A' ' 69' ' ' LEU . 10.4 mt -89.84 134.26 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -137.05 118.19 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -105.35 118.14 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.77 45.24 27.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.03 20.7 74.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 97.07 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.89 130.91 47.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' HB3' HG23 ' A' ' 23' ' ' VAL . 17.5 mt -78.17 157.82 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 9.9 t70 -47.41 146.9 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.41 -19.44 50.33 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.96 153.44 20.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.456 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 55.3 p -90.59 131.91 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -46.24 -29.77 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -69.93 -19.62 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 19.7 m-20 -71.2 -18.87 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' ASN . 58.9 m-85 -101.38 31.09 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' TYR . 1.4 p-10 37.0 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 1.1 mt -64.11 133.3 52.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -98.14 -173.46 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 142.49 46.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 45.33 53.29 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -76.62 161.3 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -108.01 110.0 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.12 142.35 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -99.76 108.2 20.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HG ' ' A' ' 43' ' ' LEU . 14.9 tp -96.46 117.23 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -121.63 150.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 160.77 17.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.755 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -103.77 130.74 51.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.92 167.13 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 128.21 23.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.37 -111.99 3.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.3 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.32 134.98 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 56' ' ' LEU . 11.2 mt -134.7 140.19 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.84 115.51 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.16 107.3 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 12.3 ptmm? -92.95 143.4 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -103.32 -170.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -3.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.4 p -103.56 25.24 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.97 44.87 72.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 1.7 ttpt -120.04 124.23 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.789 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.05 117.54 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD12 HG13 ' A' ' 15' ' ' VAL . 1.9 tp -106.34 129.65 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -108.61 112.64 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG13 HD12 ' A' ' 13' ' ' LEU . 2.6 m -122.41 148.39 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 125.58 51.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.17 -169.44 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 0.3 OUTLIER -132.76 147.31 65.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 58.1 Cg_exo -51.38 -18.13 5.06 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.299 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -74.46 -28.07 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.529 ' CB ' HD21 ' A' ' 17' ' ' LEU . 46.1 m-20 -68.83 151.86 46.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 25.2 p -108.6 159.91 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 78.1 t -41.22 -47.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.59 -57.54 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.79 -54.08 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.549 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 17' ' ' LEU . 22.9 tp -49.74 -37.02 27.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 26.8 mttt -66.81 -49.23 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.432 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.02 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -69.98 -44.87 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 HD13 ' OE1' ' A' ' 41' ' ' GLN . 4.5 mt -63.27 -18.42 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.985 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.0 tt0 -83.65 -40.25 19.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 6.38 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -120.57 -67.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 42.54 95.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' HB ' HG21 ' A' ' 30' ' ' ILE . 61.2 mt -112.36 119.47 43.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.54 136.22 65.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.82 2.347 . . . . 0.0 112.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 31.5 Cg_exo -58.8 -28.54 87.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.258 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -17.22 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.026 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 24.1 mt-30 -119.07 21.11 12.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.443 ' OE1' HD13 ' A' ' 30' ' ' ILE . 37.3 mt-30 -100.34 100.2 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 ttm-85 -98.93 99.82 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' GLN . 45.5 mt -89.71 123.34 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -121.85 74.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 15.1 t80 -75.04 116.52 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 40.48 30.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.94 -10.0 49.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -92.05 120.53 32.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -80.34 105.46 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HB3' HG23 ' A' ' 23' ' ' VAL . 21.0 mt -50.2 151.37 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -127.23 116.89 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 10.3 t70 -43.86 138.94 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.24 9.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.556 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 158.14 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 3.9 p -94.44 160.58 14.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD13 HD12 ' A' ' 3' ' ' LEU . 19.4 mt -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -38.83 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 55' ' ' THR . 16.7 m-20 -50.78 -35.53 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ASN . 96.4 m-85 -92.91 34.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' TYR . 12.8 p30 36.5 45.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -80.99 122.09 26.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' LYS . 1.1 mt-30 -102.89 137.67 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -38.33 124.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mm-40 84.14 72.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -134.08 151.94 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -96.93 147.1 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -140.73 129.97 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.2 m170 -92.98 103.69 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -91.16 105.66 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -103.09 152.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 151.45 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' HG3' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -72.58 75.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' ARG . 12.5 mt 36.16 42.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 11.7 ttt-85 45.8 92.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.99 -166.18 36.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.501 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE1' ' C ' ' A' ' 18' ' ' GLU . 1.6 tmm? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.406 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.38 154.44 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 2' ' ' GLN . 39.7 mt -135.88 129.55 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.3 m-30 -96.9 108.44 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -103.88 101.91 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.7 147.76 22.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 p -105.91 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.65 -12.51 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -90.74 -13.16 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.12 -52.19 0.65 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -38.98 130.89 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -113.64 133.91 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.14 160.03 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -133.46 105.52 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.84 147.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 113.95 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -135.3 -178.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.031 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.8 mm-40 -122.87 160.62 48.4 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.628 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 38.1 Cg_endo -66.55 -5.51 13.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.558 2.172 . . . . 0.0 112.22 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -89.26 -23.8 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' CB ' HD21 ' A' ' 17' ' ' LEU . 28.9 m-20 -67.64 170.06 8.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.788 0.327 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -125.21 166.19 16.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 66.8 t -45.99 -47.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -51.8 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -57.1 -54.97 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' CD1' ' A' ' 43' ' ' LEU . 4.1 tp -48.91 -55.09 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 16.7 mttt -55.65 -52.51 63.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.5 -43.55 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HE3' HD12 ' A' ' 17' ' ' LEU . 10.4 mttt -66.72 -45.89 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.38 -30.56 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.7 tt0 -75.63 -35.16 60.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.24 -6.25 56.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.71 -58.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HB3' HG13 ' A' ' 36' ' ' ILE . 3.1 mm-40 -112.65 30.92 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 41.32 33.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' A' ' 34' ' ' GLU . 4.5 mt -98.43 109.23 51.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.218 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.88 140.69 51.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.965 2.443 . . . . 0.0 112.269 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -57.11 -29.38 83.0 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.719 2.279 . . . . 0.0 112.195 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -32.72 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -109.5 25.12 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 27.5 mt-30 -104.32 125.31 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 29.5 mtt180 -130.39 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 26' ' ' LEU . 7.1 mt -89.7 112.43 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 mm -101.88 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.12 115.27 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.63 22.88 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.63 -6.04 64.84 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.654 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 135.09 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -86.06 119.01 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.803 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 59' ' ' TYR . 15.5 mt -63.96 136.85 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -103.42 122.82 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.17 106.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.72 -8.9 4.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -100.91 150.16 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 47.1 p -91.16 145.92 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.9 mt -45.37 -40.67 8.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -62.55 -38.87 91.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' THR . 66.1 m-20 -54.84 -31.48 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' CE2' HD23 ' A' ' 50' ' ' LEU . 27.2 m-85 -95.06 23.23 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p30 39.33 57.55 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -89.25 132.02 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -97.22 175.18 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 51.19 54.29 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.425 ' CB ' HD22 ' A' ' 61' ' ' LEU . 51.7 m -77.58 163.85 25.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -113.1 111.41 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.42 144.49 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 9.8 m170 -102.59 129.07 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.43 118.22 36.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -118.64 150.55 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.951 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 141.08 29.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -43.43 104.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -87.3 90.64 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.809 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 141.28 48.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.84 -47.45 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.507 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.832 0.349 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.35 138.98 47.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' A' ' 17' ' ' LEU . 28.2 mt -138.93 136.3 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -95.04 134.43 37.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.62 103.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -93.3 151.51 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -115.99 -172.45 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -88.88 19.82 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -118.15 -0.44 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 -6.8 82.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -83.05 138.45 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.935 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -119.17 120.05 35.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -97.08 171.54 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.3 m -144.85 109.0 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.88 155.56 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 18.9 mp0 -96.99 106.16 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' CB ' HD13 ' A' ' 3' ' ' LEU . 1.2 tp -136.11 143.51 44.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -96.39 163.65 20.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.4 Cg_endo -65.53 -16.52 54.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.2 p -85.21 -18.32 34.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 169.97 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -122.47 160.31 25.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 50' ' ' LEU . 94.6 t -50.72 -35.25 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -44.3 89.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.01 -47.13 81.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 tp -50.72 -57.14 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HD2' HG13 ' A' ' 23' ' ' VAL . 14.1 mttt -58.94 -35.39 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.628 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.17 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -72.26 -42.06 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.482 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -62.88 -25.86 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 1.3 tt0 -86.36 -26.27 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -28.12 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -49.09 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' A' ' 11' ' ' LYS . 1.8 tt0 -94.11 -46.6 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 104.32 27.79 6.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.5 mm -99.92 130.88 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_exo -64.93 148.0 89.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 22.7 Cg_exo -63.97 -43.9 14.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.828 2.352 . . . . 0.0 112.256 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -64.44 -13.4 51.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -111.31 20.21 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.482 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 36.5 mt-30 -115.31 95.98 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' HG22 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -96.12 94.49 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.68 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD1' HD13 ' A' ' 50' ' ' LEU . 78.7 mt -89.61 125.63 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -117.64 78.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CE2' HD23 ' A' ' 61' ' ' LEU . 68.6 t80 -79.88 118.81 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.55 46.77 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.97 33.49 84.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -132.89 111.14 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.726 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.67 101.79 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 43' ' ' LEU . 22.5 mt -50.43 121.72 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.19 116.38 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -45.4 124.22 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.47 -24.52 6.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.531 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.45 162.27 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -95.65 155.36 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.57 -27.73 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 2.2 t -65.77 -30.0 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.542 ' CB ' ' CD2' ' A' ' 61' ' ' LEU . 39.4 m-85 -103.53 29.28 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.84 32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -60.28 130.02 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -102.61 -171.78 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CD ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -89.34 130.1 35.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' OE2' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mt-10 69.31 27.96 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -64.57 158.14 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -111.65 102.16 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.3 134.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.09 114.99 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 tt -103.96 124.07 48.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' CB ' ' A' ' 42' ' ' ARG . 26.7 m -114.54 135.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -86.86 62.66 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 33.58 64.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 101.13 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -139.57 144.97 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 89.36 1.01 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.483 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HE1' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.798 0.332 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -84.04 123.56 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.01 156.98 19.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -122.71 101.34 7.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.77 127.27 42.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.3 ptmm? -115.34 127.41 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.7 p -89.89 -175.42 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -83.53 -3.47 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -90.88 17.01 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.05 17.66 68.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.605 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.26 142.74 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -127.65 113.79 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD12 ' CG1' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -100.27 152.58 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.5 m -100.77 142.47 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 ' CG1' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.43 170.84 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.025 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.81 123.08 34.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.82 143.95 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -99.04 154.39 37.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' HE1' ' A' ' 1' ' ' MET . 77.8 Cg_exo -49.97 -27.41 16.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.823 2.348 . . . . 0.0 112.317 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -72.16 -34.54 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-20 -50.12 158.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -119.58 155.56 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG12 ' HE3' ' A' ' 27' ' ' LYS . 40.8 t -42.46 -34.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -57.84 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.68 -49.61 56.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.19 -47.08 46.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.396 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -57.21 -43.69 83.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.68 -41.34 66.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.666 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -64.55 -41.37 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 HD11 ' OE1' ' A' ' 41' ' ' GLN . 81.1 mt -69.44 -17.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 19.0 tt0 -90.18 -26.17 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -32.33 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -51.02 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -99.05 -46.27 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 95.6 36.06 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.416 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.8 127.6 42.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.29 135.27 66.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.82 2.347 . . . . 0.0 112.218 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 50.7 Cg_exo -53.85 -39.01 85.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -33.83 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -92.37 9.38 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mt-30 -95.74 92.74 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 3.1 ttt180 -96.25 94.07 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 80.2 mt -89.7 129.81 36.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.61 94.75 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -102.44 126.97 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.78 33.61 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.55 47.21 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 122.61 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.41 104.38 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -43.96 121.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.08 117.71 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.6 115.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 123.03 -7.07 9.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.67 148.45 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 16.5 p -91.13 139.8 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 61' ' ' LEU . 7.3 mt -46.23 -36.4 6.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -16.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' THR . 92.0 m-20 -76.98 -20.73 55.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 50' ' ' LEU . 54.7 m-85 -109.5 28.43 8.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.22 54.75 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 56' ' ' LEU . 4.5 mt -82.92 119.86 24.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 44.0 mt-30 -107.12 163.35 13.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.7 136.96 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.73 89.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -128.56 155.17 45.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.87 119.3 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.23 133.2 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -95.46 108.09 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -93.99 129.08 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -122.35 135.5 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -79.01 134.65 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -64.63 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' LEU . 8.7 mt 68.13 91.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -38.24 131.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.64 146.78 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.535 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.5 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 14' ' ' THR . 2.2 mt-30 -95.99 143.51 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 17' ' ' LEU . 2.5 mt -133.58 152.89 51.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' SER . 1.6 m-85 -104.29 145.22 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 12' ' ' THR . 35.8 t -135.02 112.02 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 4.4 ptmt -105.12 166.99 10.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -121.87 -172.96 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.16 -22.09 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -90.66 -29.46 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.17 4.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.79 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -111.63 142.59 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.464 HG21 ' NE2' ' A' ' 2' ' ' GLN . 10.1 m -110.06 153.38 24.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -144.51 152.55 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.92 100.95 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD11 HD13 ' A' ' 3' ' ' LEU . 38.5 mt -133.21 157.29 45.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.2 mm-40 -108.38 157.73 35.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.1 Cg_endo -60.12 -16.33 39.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.207 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 p -81.81 -23.49 36.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' THR . 87.7 m-20 -60.77 173.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -129.72 163.4 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.0 t -48.57 -29.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -48.85 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.23 -49.44 77.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.93 -53.51 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 15.8 mttt -49.91 -48.2 51.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.1 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -56.1 -36.31 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 21.9 mt -75.89 -20.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -88.83 -22.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -27.33 19.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.229 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -100.56 -52.13 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 1.8 mm-40 -89.81 -7.32 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 64.03 25.89 69.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.562 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 34' ' ' GLU . 3.8 mm -97.39 131.64 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 98.7 Cg_endo -80.28 142.8 15.26 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.2 Cg_endo -59.0 -22.56 64.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.835 2.356 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.58 -36.44 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.517 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.6 mt-30 -102.35 3.14 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 8.6 mt-30 -91.71 130.32 37.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.21 101.33 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.68 118.95 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.6 mm -106.44 121.52 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CZ ' ' CD2' ' A' ' 61' ' ' LEU . 6.5 t80 -129.92 109.41 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.49 59.99 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.65 18.56 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.647 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 14.0 mttp -126.64 129.16 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -86.65 126.46 34.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.44 130.26 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -96.23 131.94 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.59 93.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.61 -15.13 1.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -92.0 158.87 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 47.4 p -95.59 142.62 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 61' ' ' LEU . 9.9 mt -46.75 -38.49 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -32.54 71.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 55' ' ' THR . 73.7 m-20 -60.87 -21.49 63.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -104.07 25.0 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 44.38 39.58 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' CD2' ' CZ ' ' A' ' 45' ' ' PHE . 10.2 mt -70.96 156.55 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -143.91 149.1 36.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 134.4 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.45 81.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 1.8 m -124.95 163.0 23.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -120.41 93.67 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.38 136.42 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.496 ' NE2' ' HD3' ' A' ' 6' ' ' LYS . 11.2 m170 -96.41 137.14 35.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tt -107.9 123.04 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -117.89 147.61 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.866 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.35 156.84 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' CB ' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -118.0 65.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 86.83 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 62.76 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.3 -138.95 13.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.428 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 3.2 ptt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.39 138.23 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 mt -123.4 145.14 49.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 m-85 -108.54 105.29 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 t -94.12 134.61 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -121.05 172.85 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.452 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 63.6 p -123.11 172.66 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -15.87 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -91.18 -54.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.34 -39.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.562 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 124.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -123.68 117.67 25.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 168.17 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 15' ' ' VAL . 93.4 m -129.67 142.32 50.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' HG23 ' A' ' 14' ' ' THR . 9.2 m -137.4 149.41 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -98.72 111.97 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.6 tp -138.41 174.96 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.5 mm-40 -118.48 157.18 50.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 35.8 Cg_endo -64.86 -17.7 60.2 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.284 . . . . 0.0 112.193 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -85.97 -21.8 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.8 m-20 -59.88 179.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.7 p -135.07 166.93 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.554 ' CG1' ' CE ' ' A' ' 27' ' ' LYS . 55.8 t -46.59 -45.92 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -44.02 -51.05 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.75 -54.18 45.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.02 -53.73 30.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' CE ' ' CG1' ' A' ' 23' ' ' VAL . 15.6 mttt -57.93 -42.39 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.3 53.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -67.01 -46.96 72.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.689 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD13 ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -61.8 -18.38 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.7 tt0 -89.9 -25.65 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -42.76 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -54.34 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.87 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 127.04 30.26 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.579 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG21 ' HD2' ' A' ' 37' ' ' PRO . 5.9 mt -100.22 131.97 23.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.4 Cg_endo -81.33 145.83 15.26 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.739 2.293 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.04 -26.71 82.68 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.772 2.314 . . . . 0.0 112.306 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 1.2 p-10 -72.89 -9.03 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.65 6.17 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' A' ' 30' ' ' ILE . 9.6 mt-30 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -126.75 102.57 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 50' ' ' LEU . 26.4 mt -89.99 109.33 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.85 76.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -69.62 94.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.79 22.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.92 -5.13 24.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -94.12 108.88 20.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -82.62 111.14 18.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 43' ' ' LEU . 46.6 mt -74.58 125.91 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.96 140.19 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 135.02 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.76 -19.8 40.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.85 144.33 26.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.5 p -90.58 143.3 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 18' ' ' GLU . 20.1 mt -42.7 -45.94 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -54.69 -44.6 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 55' ' ' THR . 94.0 m-20 -45.37 -37.98 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CD2' HD21 ' A' ' 50' ' ' LEU . 64.5 m-85 -90.65 23.78 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' SER . 4.1 p-10 38.83 69.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.88 165.4 12.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -130.83 170.38 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -66.4 124.22 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 69.4 71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -103.12 158.94 15.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.7 m -111.78 96.62 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.53 132.31 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -91.18 99.58 12.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 30' ' ' ILE . 15.1 tp -87.0 114.32 23.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 27.3 m -118.44 150.19 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.69 150.04 32.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -101.77 158.12 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 3.0 mp -113.53 -28.29 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 2.9 ptp180 159.38 -32.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.88 178.89 34.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.516 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 15' ' ' VAL . 31.2 tp60 -69.79 121.32 17.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD21 ' SD ' ' A' ' 1' ' ' MET . 13.2 mt -128.09 153.93 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -109.71 143.1 39.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.69 118.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 68' ' ' HIS . 14.3 ptmm? -95.06 136.31 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -94.39 -160.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp -82.0 -17.55 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -95.85 4.88 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.05 -28.58 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -38.2 131.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.54 111.94 24.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 14' ' ' THR . 1.5 tp -93.35 141.01 28.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.409 ' N ' HD12 ' A' ' 13' ' ' LEU . 6.0 m -119.03 99.54 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' NE2' ' A' ' 2' ' ' GLN . 17.1 m -112.81 158.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -123.79 126.46 46.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 1' ' ' MET . 8.9 mt -140.77 -174.23 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.28 154.54 48.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.18 -18.64 64.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.796 2.331 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 p -82.04 -23.33 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -57.37 174.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -130.54 165.89 21.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 99.6 t -44.46 -43.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 52' ' ' ASP . 2.1 mt-10 -52.16 -52.23 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.656 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.16 -51.19 62.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 17' ' ' LEU . 33.2 tp -53.83 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.599 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 41.0 mttt -50.59 -44.4 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.42 -53.2 9.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.759 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' CE ' HD22 ' A' ' 17' ' ' LEU . 1.8 mttp -60.75 -39.46 88.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 ' O ' HG21 ' A' ' 30' ' ' ILE . 8.2 mt -56.68 -29.74 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -85.59 -21.13 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -14.5 33.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.31 -58.0 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.92 -6.31 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 57.58 32.61 65.2 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.572 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.5 123.19 55.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.708 0.29 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.06 138.2 71.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.8 2.333 . . . . 0.0 112.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 -25.83 51.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.01 -22.24 65.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.15 14.97 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.741 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 27' ' ' LYS . 30.7 mt-30 -90.71 117.0 29.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' CB ' HG23 ' A' ' 70' ' ' VAL . 3.5 mtt85 -116.14 104.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.756 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 50' ' ' LEU . 69.6 mt -89.84 115.9 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.512 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 21.3 mm -114.68 89.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 12.4 t80 -101.81 104.68 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.16 38.35 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 0.9 87.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 10.0 mttt -98.43 144.96 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -106.24 104.48 14.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 43' ' ' LEU . 5.3 mt -54.73 120.22 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -93.57 127.0 39.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.5 t70 -56.28 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.74 -21.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -91.0 160.14 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -94.72 144.24 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.9 mt -40.56 -43.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -62.93 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -50.59 -34.62 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 30.3 m-85 -96.21 25.98 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 41.19 78.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.5 mt -105.7 110.04 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -90.02 178.82 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -78.21 143.34 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.01 49.66 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -99.64 148.11 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -110.81 113.39 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.65 140.78 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 4.4 m170 -91.94 121.26 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -114.28 115.67 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' CB ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -115.03 142.45 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 40' ' ' GLN . 10.3 tp -84.85 125.88 32.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.49 125.2 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -48.61 176.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 74' ' ' ARG . 1.7 mtm105 -56.09 -84.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 42.51 79.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.546 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.57 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' CB ' ' HD2' ' A' ' 63' ' ' LYS . 14.6 ptt? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.25 142.73 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 17' ' ' LEU . 65.5 mt -130.63 142.22 50.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.85 136.49 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.33 121.08 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 5.8 ptpt -106.93 153.05 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -105.28 -174.62 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 70' ' ' VAL . 5.1 mt -78.13 -1.27 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -113.66 -8.94 13.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.17 -7.62 44.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.574 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 97.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -91.87 149.05 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.54 162.48 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -126.22 110.15 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.05 173.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -125.47 121.86 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HB2' HD13 ' A' ' 3' ' ' LEU . 5.5 mt -148.93 178.75 8.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 mm-40 -113.92 156.85 43.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.6 Cg_endo -64.66 -21.03 65.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.763 2.309 . . . . 0.0 112.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 p -85.55 -17.83 35.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -53.73 163.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -109.25 156.93 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 t -51.14 -34.5 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -44.12 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.56 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -58.7 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.438 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -57.3 -54.61 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 2.7 mttm -54.12 -42.87 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.457 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -60.86 -44.06 97.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 30' ' ' ILE . 8.7 mt -68.0 -17.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -88.32 -24.71 23.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -13.49 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -112.87 -55.1 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' CB ' HD12 ' A' ' 36' ' ' ILE . 22.1 mt-10 -91.43 -3.71 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 62.19 24.1 64.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.392 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD12 ' CB ' ' A' ' 34' ' ' GLU . 4.0 mt -94.57 124.94 53.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.3 Cg_endo -78.75 141.38 17.13 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.689 2.259 . . . . 0.0 112.6 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -57.59 -20.76 43.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.81 2.34 . . . . 0.0 112.047 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -72.11 -32.94 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.96 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -105.48 1.48 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.5 mt-30 -90.18 133.92 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.8 ttt-85 -128.84 96.53 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.8 138.73 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.042 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -137.94 127.85 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 6.2 t80 -116.71 111.99 20.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.09 45.83 15.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.5 25.44 67.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.57 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.74 94.14 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 119.93 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 59' ' ' TYR . 12.5 mt -71.4 152.18 43.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 16.5 mt-10 -125.89 122.6 36.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -49.78 111.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.42 -17.16 4.79 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -92.64 166.31 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.8 p -106.47 141.3 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 ' O ' HD11 ' A' ' 61' ' ' LEU . 78.9 mt -45.09 -38.34 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 55' ' ' THR . 76.4 m-20 -58.55 -21.55 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' ASN . 62.6 m-85 -102.89 25.17 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' ND2' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 37.06 53.67 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -81.84 169.14 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.08 -170.26 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.15 132.37 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 58.41 73.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.492 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 32.5 m -103.26 159.79 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.0 m -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.4 mt -105.2 135.15 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 11.6 m170 -90.34 122.43 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.0 tt -100.15 108.5 20.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.526 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -113.7 151.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.849 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 142.7 49.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 2.2 mmt180 -40.07 138.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -51.97 -175.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 121.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.35 85.65 0.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.432 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.298 -1.279 . . . . 0.0 112.488 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.756 0.312 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 135.4 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.75 142.19 51.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 64' ' ' GLU . 1.2 m-85 -105.25 111.62 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 13' ' ' LEU . 22.9 t -108.06 120.63 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -107.74 165.14 11.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -119.73 -179.11 3.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -9.16 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 -23.15 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 14.45 11.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 128.53 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 0.0 110.775 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -114.56 132.62 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD13 ' HB ' ' A' ' 5' ' ' VAL . 4.5 pp -127.51 140.14 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 m -95.64 122.23 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG12 ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -121.81 147.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.28 116.06 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 mt -141.07 -178.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 5.6 mm-40 -127.3 151.83 75.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HG3' ' CE ' ' A' ' 1' ' ' MET . 32.5 Cg_exo -58.16 -17.43 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.801 2.334 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.6 p -88.17 0.15 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' THR . 1.3 m-20 -74.05 158.31 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 HG23 HG21 ' A' ' 55' ' ' THR . 60.6 p -112.01 160.74 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 95.7 t -48.89 -47.26 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.41 -41.23 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -61.99 -60.64 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 26' ' ' LEU . 7.9 tp -48.69 -43.25 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 110.348 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 1.7 mmtt -57.21 -44.74 83.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.306 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.77 -41.83 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -60.53 -43.45 97.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 34' ' ' GLU . 14.2 mt -70.86 -19.27 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 10.5 tt0 -89.05 -27.44 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -9.91 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE3' HG12 ' A' ' 15' ' ' VAL . 8.7 mtmm -119.24 -56.34 2.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HB2' HG22 ' A' ' 30' ' ' ILE . 4.5 mm-40 -90.93 -1.15 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.53 34.71 35.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.602 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mt -107.45 120.65 46.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.3 Cg_exo -60.94 153.48 63.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.812 2.342 . . . . 0.0 112.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 36.9 Cg_exo -60.33 -42.77 39.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.849 2.366 . . . . 0.0 112.336 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.0 -20.3 57.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -107.94 22.43 15.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 44.4 mt-30 -110.67 133.72 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 1.3 ttt85 -140.33 86.31 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.635 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 12.8 mt -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 42' ' ' ARG . 8.8 mm -121.54 78.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 45.3 t80 -54.56 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 52.69 38.65 26.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.76 5.48 53.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 7.8 mttm -108.53 105.42 15.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 44' ' ' ILE . 1.2 mt-30 -73.23 104.35 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.434 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.9 mt -50.36 126.96 16.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 22.9 mm-40 -101.41 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -39.82 146.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.027 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 -13.43 59.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 51' ' ' GLU . 7.0 mmt180 -95.1 157.3 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 HG21 HG23 ' A' ' 22' ' ' THR . 12.5 p -94.3 157.66 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 56' ' ' LEU . 4.1 mt -59.56 -33.52 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.43 -7.96 50.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 50' ' ' LEU . 35.6 m-85 -119.01 27.22 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 8.6 p30 49.76 29.42 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -50.19 133.19 23.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -172.28 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 3.6 ttpp -87.68 117.84 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . 6.1 mt-10 79.27 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -77.51 154.12 32.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -112.94 97.09 6.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.508 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 9.2 mt -98.27 144.95 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.449 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 10.6 m170 -101.82 113.73 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD12 HD21 ' A' ' 43' ' ' LEU . 5.3 tp -93.07 116.89 29.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -125.7 149.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.1 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.33 156.34 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.28 147.79 28.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.7 mt -83.45 147.39 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttt-85 -111.32 14.3 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.89 -157.52 25.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.423 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.567 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.86 160.09 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -147.82 150.44 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -116.87 138.29 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -130.48 118.03 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 147.48 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -104.25 -158.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.69 33.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 -44.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.87 -37.74 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' OE2' ' A' ' 34' ' ' GLU . 27.6 ttmt -42.73 106.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.1 139.86 30.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.3 125.82 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.45 108.38 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.18 158.67 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.19 129.54 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' A' ' 29' ' ' LYS . 1.8 tp -147.29 -170.66 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 2.2 mm-40 -136.35 153.58 76.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 23.8 Cg_endo -61.56 -20.85 70.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -81.31 -16.56 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 55' ' ' THR . 14.5 m-20 -69.92 166.12 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.4 p -120.5 167.73 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.6 t -50.2 -46.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -44.46 16.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.93 -52.19 60.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.54 -52.16 41.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HE3' HG11 ' A' ' 23' ' ' VAL . 1.8 mmtt -55.09 -52.05 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.08 -41.53 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HE2' HD11 ' A' ' 17' ' ' LEU . 6.5 mmtm -64.31 -46.16 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 9.0 mt -61.07 -26.12 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 59.5 tt0 -85.06 -15.59 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -34.41 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -99.35 -51.2 3.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . 4.3 mm-40 -93.71 3.53 55.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.276 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.1 37.32 5.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.45 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 37.0 mt -104.36 121.82 46.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.66 133.85 54.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.836 2.357 . . . . 0.0 112.231 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.83 -31.0 79.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.254 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.53 -31.38 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.83 23.65 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 39.7 mt-30 -104.18 120.74 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 12.5 ttp180 -115.17 89.61 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 69' ' ' LEU . 1.8 mt -90.15 113.12 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.525 HG23 ' CA ' ' A' ' 47' ' ' GLY . 54.3 mt -117.14 78.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -61.99 110.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.86 37.65 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' CA ' HG23 ' A' ' 44' ' ' ILE . . . 85.16 4.55 86.51 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -103.06 120.56 40.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.0 120.51 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.03 131.43 40.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -96.21 125.39 40.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 7.0 t70 -54.52 99.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.38 -10.89 3.8 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -91.32 146.99 23.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' ASP . 5.7 p -90.43 139.16 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 10.0 mt -41.85 -35.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -64.79 -34.1 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' THR . 17.6 m-20 -56.59 -27.97 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -102.48 29.84 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 39.04 41.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 149.31 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.93 -179.26 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 122.26 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.82 82.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -111.68 137.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 m -97.53 100.22 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.93 149.08 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 8.6 m170 -97.34 128.3 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD12 ' HG2' ' A' ' 41' ' ' GLN . 1.9 tp -113.5 128.61 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.21 -162.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.63 146.32 50.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 13.8 ttp-105 -70.76 153.73 42.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 145.1 12.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -114.72 91.53 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.86 64.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.49 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG3' HD23 ' A' ' 3' ' ' LEU . 17.9 ptt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.435 ' HG3' ' HG3' ' A' ' 16' ' ' GLU . 3.7 mt-30 -91.15 158.78 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.437 HD23 ' HG3' ' A' ' 1' ' ' MET . 5.8 mt -143.42 136.42 27.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -104.27 128.93 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 69' ' ' LEU . 86.9 t -119.5 108.29 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -99.01 139.97 33.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -96.44 -164.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -3.44 36.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 2.0 p -102.61 -59.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . 159.94 -38.06 0.46 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 124.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -108.35 115.35 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.98 134.61 34.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -107.21 123.76 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.95 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 4.3 mp0 -111.95 120.22 41.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' HB3' ' OD2' ' A' ' 21' ' ' ASP . 50.2 mt -148.52 176.63 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -113.92 158.69 38.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 30.3 Cg_endo -63.3 -18.23 63.81 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.623 2.215 . . . . 0.0 112.202 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.49 -15.82 57.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' A' ' 17' ' ' LEU . 67.0 m-20 -67.97 162.53 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 13.2 p -117.13 161.02 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 50' ' ' LEU . 76.5 t -47.94 -37.96 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.53 -46.4 66.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.409 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.22 -52.43 62.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 43' ' ' LEU . 37.0 tp -50.55 -48.39 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.228 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 17.3 mmtt -57.71 -47.51 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.35 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.48 23.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.16 -48.3 80.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.439 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 7.7 mt -58.29 -23.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.509 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 12.4 tt0 -90.52 -22.82 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.686 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -5.0 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -120.73 -62.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -90.17 -15.31 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 69.08 38.19 83.37 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.0 mt -102.21 130.88 23.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.47 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.3 Cg_exo -60.92 149.22 89.72 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.587 2.191 . . . . 0.0 112.041 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 38.9 Cg_exo -59.97 -36.56 89.56 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.928 2.419 . . . . 0.0 112.614 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.22 0.64 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.335 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -116.35 6.36 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 29.0 mt-30 -107.05 92.2 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.255 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 6.5 ttm180 -96.11 92.04 6.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.333 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.526 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.7 mt -89.6 121.06 31.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 19.4 mm -111.39 71.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.961 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.445 ' CE2' ' OD1' ' A' ' 60' ' ' ASN . 41.8 t80 -52.1 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.32 25.85 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.42 -1.53 25.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.73 119.81 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -87.45 96.88 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HB3' HG23 ' A' ' 23' ' ' VAL . 17.3 mt -55.56 118.14 4.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.3 mt-10 -109.55 110.14 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -34.9 132.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.1 -32.46 5.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.22 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -89.95 148.38 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.76 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 30.6 p -92.41 154.33 18.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.98 -39.54 59.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -70.37 -17.42 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 77.4 m-20 -81.7 -10.3 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 34.2 m-85 -107.24 -86.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.77 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 42.5 p-10 173.03 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -79.25 114.37 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.37 175.98 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 1.0 OUTLIER -64.63 116.45 6.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 32.8 mt-10 64.79 81.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -121.03 164.0 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -103.68 135.85 44.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.796 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.526 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 8.2 mt -129.43 142.27 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.89 100.31 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 6.3 tt -82.86 97.84 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 1.7 t -97.76 158.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.874 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' ARG . 2.5 mm? -107.5 75.39 1.01 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' LEU . 7.9 ttt-85 35.3 86.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.6 177.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.44 -35.9 22.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.0 -169.61 12.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.588 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.439 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE1' ' N ' ' A' ' 19' ' ' PRO . 17.6 ttp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -78.75 155.82 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.8 mt -139.52 143.17 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -111.6 113.72 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 12' ' ' THR . 22.3 t -104.32 120.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.83 145.06 29.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 p -110.0 167.35 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.982 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 70' ' ' VAL . 9.7 mp -58.81 -20.37 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -95.56 -1.18 51.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.92 -34.74 4.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.0 tptt -42.18 100.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.3 m -101.01 120.73 40.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -110.19 148.94 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 17.6 m -119.5 147.17 44.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 14' ' ' THR . 19.3 m -148.77 175.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.5 121.9 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.035 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 21' ' ' ASP . 9.1 tp -150.19 160.68 43.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -99.24 156.27 35.62 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.7 Cg_endo -64.25 -20.92 67.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.821 2.347 . . . . 0.0 112.289 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -73.74 -15.99 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' HG ' ' A' ' 17' ' ' LEU . 2.4 m-20 -66.07 160.56 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -110.87 162.85 14.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 99.0 t -48.17 -48.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -43.53 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.41 -56.44 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.1 tp -50.02 -55.47 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 41' ' ' GLN . 39.3 mttp -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.471 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -62.56 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 62.3 mt -61.9 -19.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.9 tt0 -82.61 -30.45 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -3.6 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -115.37 -59.3 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.068 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 10.7 mm-40 -99.95 12.14 37.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.1 38.09 38.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.755 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.1 mt -106.45 124.8 34.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.293 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 90.8 Cg_endo -80.91 150.12 18.14 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.892 2.395 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.2 Cg_exo -59.83 -31.09 93.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.833 2.355 . . . . 0.0 112.185 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 5.0 p-10 -67.52 -26.42 66.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.0 mt-30 -108.94 7.54 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.525 ' OE1' ' CD1' ' A' ' 30' ' ' ILE . 15.5 mt-30 -100.25 127.11 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 70' ' ' VAL . 52.7 mtp85 -131.84 92.64 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.596 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.33 134.17 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.91 109.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -113.25 127.92 56.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.54 29.74 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.213 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 21.38 68.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.73 110.33 16.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 104.01 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 11.0 mt -52.23 122.98 9.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -97.9 118.15 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -49.37 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.64 -18.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.33 160.61 14.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 p -90.05 159.56 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 61' ' ' LEU . 5.4 mt -59.06 -40.4 85.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -26.19 64.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 97.6 m-20 -67.3 -8.65 33.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 89.4 m-85 -117.65 27.14 9.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 p30 40.26 41.06 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 56' ' ' LEU . 7.2 mt -67.04 161.87 23.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -147.44 166.22 27.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -43.08 141.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 41.63 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -105.28 156.72 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -116.67 95.05 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.09 144.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.37 103.01 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.3 tp -79.76 118.68 21.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -110.66 152.53 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.89 127.28 52.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -86.65 135.33 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.67 -174.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -38.23 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.61 45.05 38.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 ttp . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.862 0.363 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.71 110.79 22.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -111.62 163.93 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 65' ' ' SER . 16.1 m-30 -119.15 160.77 21.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -149.03 96.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 14.3 ptmt -89.86 157.87 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -122.89 -167.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.02 4.12 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 14.9 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.23 11.22 70.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 3.8 tttp -87.02 122.75 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -104.63 114.88 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.06 160.81 14.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 m -147.27 119.77 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.57 165.34 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.18 107.73 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -129.48 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.38 150.78 44.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 16.5 Cg_endo -57.73 -21.28 47.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.811 2.341 . . . . 0.0 112.206 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.9 p -76.75 -15.6 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.23 165.37 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -124.96 163.4 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 77.5 t -44.43 -49.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -48.39 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.719 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -56.99 -55.31 36.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' A' ' 43' ' ' LEU . 2.3 tp -45.75 -53.05 10.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.366 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 6.3 mttt -55.53 -44.65 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.256 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.13 -38.37 38.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -66.48 -46.81 75.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.253 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 30' ' ' ILE . 8.1 mt -60.13 -20.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 8.7 tt0 -83.55 -30.41 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.591 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -9.67 46.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -105.54 -67.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 6.2 mm-40 -89.84 5.74 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 37.24 87.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 8.2 mt -112.85 137.61 21.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 78.6 Cg_endo -78.73 149.63 23.59 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.637 2.225 . . . . 0.0 111.885 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.49 -33.16 91.78 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 2.295 . . . . 0.0 112.537 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.84 4.84 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.612 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.532 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 88.0 mt-30 -124.71 3.79 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.642 0.258 . . . . 0.0 111.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -119.41 128.94 54.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.361 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' O ' HG21 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -117.21 122.12 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' CD1' HD22 ' A' ' 26' ' ' LEU . 7.5 mt -112.96 130.43 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -126.36 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -80.18 121.84 26.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.84 29.85 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.87 -8.07 80.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -91.65 121.55 33.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 103.28 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 23' ' ' VAL . 14.9 mt -45.17 130.49 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -100.92 113.85 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 53.9 t0 -54.51 90.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.27 -24.18 0.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 166.79 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 59.9 p -92.17 170.98 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 5.6 mt -68.28 -51.34 46.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.765 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -16.83 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 37.8 m-20 -70.21 -16.67 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 61' ' ' LEU . 57.7 m-85 -111.42 36.54 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER 36.98 34.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 59' ' ' TYR . 3.7 mt -69.23 118.68 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -94.04 -175.4 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -71.42 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 66.75 73.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.2 m -104.75 146.36 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -98.45 107.19 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.9 mt -101.49 131.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.0 m170 -90.44 117.57 29.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -98.76 130.34 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -120.62 137.95 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -73.33 69.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.7 ttt180 36.3 88.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.6 86.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.08 -79.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.32 -8.02 63.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.315 -1.27 . . . . 0.0 112.472 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.31 147.85 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD22 HD12 ' A' ' 61' ' ' LEU . 16.4 mt -138.81 129.21 25.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 5.6 m-30 -92.65 139.6 30.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.6 144.1 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -130.45 153.53 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -117.16 -156.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.73 14.24 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -118.11 -8.74 10.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.49 80.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -81.67 126.67 32.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.3 129.24 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.8 158.83 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -132.61 114.18 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 m -122.84 157.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.7 108.06 17.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -138.54 147.08 42.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.1 mm-40 -92.06 156.96 41.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.4 Cg_endo -63.11 -13.79 37.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.051 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 p -85.48 -29.34 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 13.0 m-20 -56.9 158.16 5.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.778 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.4 p -109.45 159.63 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 98.2 t -44.88 -47.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.4 -49.25 18.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.2 m120 -58.05 -49.81 75.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 8.6 tp -49.61 -50.15 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -54.48 -42.87 71.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.261 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -53.66 -43.12 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -39.79 91.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.184 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.876 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.8 mt -66.39 -22.83 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.554 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 53.9 tt0 -88.24 -31.12 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -11.42 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -114.16 -63.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.83 -20.91 22.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 73.35 43.4 38.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.62 132.27 21.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 39.7 Cg_exo -57.1 147.13 77.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.825 2.35 . . . . 0.0 112.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -58.02 -49.27 13.23 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.85 2.367 . . . . 0.0 112.369 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 -3.37 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.561 ' OE1' HD21 ' A' ' 71' ' ' LEU . 3.6 mt-30 -104.47 10.87 35.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.876 ' OE1' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -124.73 120.87 33.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.886 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.535 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -107.78 101.73 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.91 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 mt -89.84 103.44 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.17 83.47 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CD1' HG13 ' A' ' 67' ' ' ILE . 14.1 t80 -82.84 121.14 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.32 11.29 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.35 -18.41 35.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.384 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 137.95 32.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' O ' ' OE1' ' A' ' 51' ' ' GLU . 27.0 tt0 -89.41 127.63 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.91 HD12 ' HB2' ' A' ' 43' ' ' LEU . 8.6 mt -69.98 139.05 52.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 49' ' ' GLN . 2.6 mp0 -97.61 130.52 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -61.04 104.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.41 -8.5 4.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -99.54 152.42 20.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 18.1 p -90.14 145.62 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 7.0 mt -50.08 -35.49 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -72.16 -12.44 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' THR . 84.9 m-20 -85.53 -5.95 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.075 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 18.6 m-85 -113.61 -78.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 p-10 163.41 41.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -84.03 119.9 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -99.95 176.51 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 117.56 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.0 76.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.4 m -108.83 -175.48 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.408 ' C ' HD12 ' A' ' 67' ' ' ILE . 33.8 m -128.89 133.02 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.9 mp -136.57 138.93 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.19 112.6 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 69' ' ' LEU . 4.4 tt -99.07 105.64 17.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.535 ' CG2' ' HB3' ' A' ' 42' ' ' ARG . 29.2 m -112.21 142.91 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD21 ' OE1' ' A' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -112.41 150.59 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.33 164.82 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -111.4 139.31 46.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.12 118.9 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -115.37 145.24 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -96.14 177.87 5.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -13.65 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.31 -17.92 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 117.21 -41.31 2.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.273 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -36.65 132.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -129.94 143.97 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' OE2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -136.88 164.01 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -123.18 128.52 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.12 163.58 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.57 113.63 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 21' ' ' ASP . 10.4 mt -141.97 175.09 10.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.5 mm-40 -107.42 158.12 33.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.2 Cg_endo -65.06 -14.23 44.12 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.248 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.9 m-20 -50.34 166.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 3.0 p -118.35 161.22 20.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 51' ' ' GLU . 3.2 t -51.04 -39.53 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -42.68 76.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.505 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.51 -59.51 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -48.65 -54.4 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 14.7 mmtt -55.56 -50.83 68.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.541 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.37 -45.62 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.728 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -42.92 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 5.8 mt -62.24 -19.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.019 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.4 tt0 -88.6 -27.56 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -31.51 16.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -90.95 -52.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.492 ' OE2' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -89.84 -9.34 49.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 68.64 22.6 75.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.614 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.7 mt -110.76 117.33 50.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.207 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 29.6 Cg_exo -61.81 153.23 69.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.742 2.295 . . . . 0.0 112.191 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 41.8 Cg_endo -67.82 -28.92 35.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.86 -17.0 60.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.05 21.85 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 29.6 mt-30 -100.92 122.68 43.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.7 ttt180 -117.67 90.83 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 50' ' ' LEU . 15.1 mt -91.05 131.75 36.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 47' ' ' GLY . 71.0 mt -137.29 93.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -74.55 107.25 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.22 23.29 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.036 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 108.58 -10.13 35.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -91.21 109.78 21.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.68 120.96 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 43' ' ' LEU . 24.4 mt -68.41 140.93 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.769 ' O ' HG21 ' A' ' 23' ' ' VAL . 3.7 mt-10 -111.61 133.56 53.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.35 146.86 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.29 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -89.67 149.58 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.805 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.523 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 43.6 p -89.74 166.79 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 9.2 mt -67.44 -50.19 60.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -60.26 -27.32 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 28.5 m-20 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 65.7 m-85 -93.14 21.22 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER 41.96 70.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.2 mm? -93.32 179.3 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 61' ' ' LEU . 46.1 mm-40 -143.52 164.32 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 139.05 56.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.99 71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -112.77 135.32 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -127.13 131.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -92.52 114.94 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -103.45 131.33 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.05 141.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.72 160.24 18.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.736 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 mt -145.92 140.77 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -102.19 126.41 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 30' ' ' ILE . 32.3 t -118.63 99.11 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -93.77 139.73 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -99.86 -164.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.58 -12.3 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -90.5 -30.19 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.93 14.6 7.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -90.59 110.2 21.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 m -98.31 114.73 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.066 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.29 132.92 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -107.69 96.16 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.11 159.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.72 112.67 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD21 ' CE ' ' A' ' 29' ' ' LYS . 3.8 mt -144.63 177.76 8.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -111.45 156.26 41.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 19.8 Cg_endo -58.24 -22.97 59.89 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.806 2.338 . . . . 0.0 112.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -75.28 -35.77 61.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HB2' HD12 ' A' ' 56' ' ' LEU . 16.4 m-20 -46.11 149.06 0.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG22 ' A' ' 55' ' ' THR . 34.1 p -99.39 157.21 16.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 54' ' ' ARG . 62.0 t -46.97 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CG ' ' OD1' ' A' ' 52' ' ' ASP . 2.7 mt-10 -58.6 -51.55 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.457 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -55.07 -48.26 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.323 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -55.96 -55.01 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.46 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HD2' HG12 ' A' ' 23' ' ' VAL . 15.2 mttp -52.78 -40.85 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.04 74.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.547 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.724 ' CE ' HD21 ' A' ' 17' ' ' LEU . 3.3 mptp? -57.45 -45.57 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.318 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.687 ' CG2' HD12 ' A' ' 36' ' ' ILE . 6.1 mt -68.45 -17.99 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -90.26 -35.91 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.645 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.96 5.52 40.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -126.62 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -103.29 -10.8 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.61 32.28 67.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.371 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.687 HD12 ' CG2' ' A' ' 30' ' ' ILE . 1.8 mt -100.12 125.97 38.04 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.228 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 85.4 Cg_endo -79.72 142.21 15.89 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.819 2.346 . . . . 0.0 112.526 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 58.1 Cg_exo -52.28 -22.36 15.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.889 2.393 . . . . 0.0 112.348 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -47.65 79.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.6 mt-30 -93.43 0.44 56.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.177 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.0 mt-30 -89.75 106.54 18.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.337 . . . . 0.0 111.208 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 15.1 mtp180 -110.86 103.06 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.6 mt -90.08 127.09 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 43' ' ' LEU . 5.1 mm -126.17 99.79 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 45.5 t80 -99.35 121.05 40.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.11 30.75 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.53 22.43 53.8 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -121.24 123.21 41.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.47 113.14 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 43' ' ' LEU . 9.5 mt -66.42 148.43 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -129.05 134.06 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 12.2 t0 -47.47 114.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.95 -25.68 3.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.585 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.89 148.43 22.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 36.9 p -90.08 157.65 17.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 21' ' ' ASP . 22.2 mt -59.42 -42.78 92.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 48.0 t -61.22 -32.48 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.78 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 91.6 m-20 -57.87 -29.77 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 50' ' ' LEU . 85.1 m-85 -92.8 23.21 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.95 42.21 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.534 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mt -75.24 125.44 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -95.76 -174.85 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -71.11 139.0 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 50.34 68.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -92.97 174.73 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.4 m -126.47 101.82 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.43 146.48 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.82 110.52 22.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tt -88.03 115.38 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -109.68 150.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.059 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.679 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.8 mm? . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.2 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.97 99.83 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.6 mt -96.34 163.55 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 m-85 -113.96 158.98 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 64.5 t -143.13 105.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 16.5 ptmt -95.84 151.02 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.55 -176.38 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -85.04 -7.63 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -96.63 -44.45 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.35 38.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 106.44 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 23.5 m -103.08 125.72 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HG ' ' HB ' ' A' ' 5' ' ' VAL . 1.7 pp -115.48 -173.31 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -147.77 139.25 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.56 152.76 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.28 103.31 15.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' OD2' ' A' ' 21' ' ' ASP . 13.5 mt -132.53 140.54 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.52 151.5 41.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 57' ' ' SER . 75.0 Cg_exo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 p -65.64 -40.55 92.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.613 ' OD2' HD22 ' A' ' 17' ' ' LEU . 2.0 m-20 -45.68 155.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 161.97 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 43' ' ' LEU . 22.3 t -46.36 -37.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -59.67 -50.25 74.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -53.34 -44.54 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 HD13 ' A' ' 43' ' ' LEU . 10.1 tp -56.96 -52.82 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.611 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 18.9 mttt -58.32 -50.72 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.07 -45.88 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -62.2 -47.5 84.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 69' ' ' LEU . 63.6 mt -58.48 -19.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 13.2 tt0 -82.41 -35.8 27.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -11.64 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 -61.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.55 -8.61 52.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.3 32.59 68.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.425 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 12.3 mt -121.97 120.23 28.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 111.263 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 32.2 Cg_exo -58.17 153.26 47.07 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 112.101 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 52.2 Cg_exo -54.88 -43.21 61.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 m-20 -68.68 -22.65 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -89.8 9.41 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -142.51 144.75 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.0 111.011 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -126.03 122.66 36.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.789 HD13 HD23 ' A' ' 26' ' ' LEU . 1.7 mt -92.96 126.19 37.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mm -129.87 108.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -114.64 124.43 51.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.91 37.96 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.23 9.26 67.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 107.13 14.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -65.67 133.37 50.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 43' ' ' LEU . 5.3 mt -68.83 134.25 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.6 118.29 36.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -46.67 143.68 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.3 -15.58 62.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.578 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -92.48 167.26 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.507 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 70.6 p -105.72 153.13 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -61.16 -38.5 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 38.9 t -59.76 -23.7 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 69.7 m-20 -70.84 -32.47 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -98.66 33.18 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.9 p-10 41.94 62.0 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -91.22 111.63 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.05 -177.73 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 135.68 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 74.89 40.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -82.78 165.98 19.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 67' ' ' ILE . 50.0 m -126.64 118.26 24.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 mp -113.57 127.47 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.08 112.68 24.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 30' ' ' ILE . 8.3 tt -95.09 116.17 28.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.15 143.07 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.627 ' CE ' HD21 ' A' ' 3' ' ' LEU . 8.4 ttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -100.1 152.15 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.627 HD21 ' CE ' ' A' ' 1' ' ' MET . 2.6 mt -140.7 145.97 37.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 65' ' ' SER . 40.8 m-85 -114.58 128.51 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.57 115.56 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -99.8 153.24 19.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 19.9 p -109.75 -175.43 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 15.65 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -126.09 13.12 7.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 -11.16 56.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 126.41 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -125.2 130.09 51.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 14' ' ' THR . 2.2 pp -109.59 169.36 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 24.4 m -134.98 122.93 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.779 ' HB ' HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.91 153.81 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.438 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.0 mt-10 -128.83 107.22 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.838 ' N ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.77 168.68 22.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -91.36 149.9 40.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 79.6 Cg_exo -46.78 -22.42 1.9 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.238 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 p -67.58 -39.71 84.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.74 157.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.7 p -115.26 169.08 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.9 t -49.53 -29.66 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.736 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -45.52 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 16.3 m120 -62.24 -52.82 62.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.449 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 15' ' ' VAL . 23.0 tp -54.1 -47.32 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.4 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 27.0 mttm -63.79 -52.07 61.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 -44.76 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.52 -48.47 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.51 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.625 HD13 HD12 ' A' ' 69' ' ' LEU . 36.7 mt -59.8 -19.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.0 tt0 -89.59 -33.77 16.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.29 -11.69 40.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.8 mttp -104.86 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 mm-40 -89.98 -12.27 39.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 74.97 27.71 63.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.411 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 41' ' ' GLN . 56.8 mt -104.59 133.14 20.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 87.2 Cg_endo -81.18 147.87 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 45.3 Cg_exo -56.07 -21.19 33.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -24.54 55.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 38.0 mt-30 -113.97 3.97 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 36' ' ' ILE . 5.9 mt-30 -89.87 108.29 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.073 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 7.1 ttt180 -105.53 98.95 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 44.1 mt -89.94 118.48 29.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 43' ' ' LEU . 19.1 mm -123.37 102.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -103.32 110.44 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.23 40.57 27.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -9.46 57.12 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 120.21 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.37 112.46 21.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.9 mt -57.94 146.73 31.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -114.51 128.62 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 103.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.75 -13.52 3.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -94.74 160.44 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 32.8 p -95.2 163.89 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 3' ' ' LEU . 5.8 mt -66.12 -54.4 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 1.3 t -50.61 -37.55 40.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 83.2 m-20 -48.17 -29.7 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CE2' HD22 ' A' ' 50' ' ' LEU . 73.9 m-85 -93.05 26.34 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 38.81 33.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.17 160.9 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.09 178.05 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.87 133.07 55.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 46.95 84.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 69.3 m -104.85 172.37 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.9 m -122.32 107.71 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.7 mp -112.82 140.55 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.83 129.16 40.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 30' ' ' ILE . 7.7 tt -107.9 116.63 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.22 144.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 3' ' ' LEU . 4.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -97.8 101.18 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 1' ' ' MET . 23.4 mt -99.38 140.04 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.39 133.7 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.35 101.24 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 5.8 ptpt -98.86 174.93 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -133.81 -161.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 70' ' ' VAL . 11.1 mt -87.64 -19.52 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -89.97 -8.35 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -43.23 1.73 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.85 115.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 6' ' ' LYS . 52.0 m -123.68 125.38 44.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.996 HD22 ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -102.81 149.82 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 m -108.47 128.74 55.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 13' ' ' LEU . 3.4 m -132.21 158.55 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.7 117.74 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 1' ' ' MET . 4.8 mt -136.59 -174.69 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -129.36 152.03 78.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.83 -22.1 6.77 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.203 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.56 -39.5 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -41.51 151.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 55' ' ' THR . 66.9 p -113.82 170.58 8.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 43' ' ' LEU . 75.4 t -47.5 -43.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -53.71 -44.45 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 18.6 m120 -58.99 -54.45 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.571 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 43' ' ' LEU . 12.1 tp -50.04 -54.87 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.486 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 68.8 mttt -59.12 -42.89 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.403 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.75 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 1.7 mmmt -73.76 -44.65 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.68 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.819 HD12 ' OE1' ' A' ' 41' ' ' GLN . 15.0 mt -58.0 -30.3 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.0 tt0 -81.14 -26.41 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -7.73 52.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 15' ' ' VAL . 1.5 mttm -118.49 -52.82 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.996 ' OE1' HD22 ' A' ' 13' ' ' LEU . 1.8 mp0 -102.65 14.26 32.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.76 32.46 4.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -98.17 125.85 42.15 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.5 Cg_endo -79.82 142.62 15.97 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.794 2.33 . . . . 0.0 112.404 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 35.7 Cg_exo -59.7 -23.45 71.71 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -64.83 -21.92 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.5 mt-30 -125.98 21.07 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.819 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.2 mt-30 -94.85 123.58 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 1.4 tpp180 -112.87 94.39 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 26' ' ' LEU . 22.5 mt -89.83 115.92 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.88 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.056 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' CE2' HD23 ' A' ' 61' ' ' LEU . 10.5 t80 -126.88 126.77 43.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.52 42.26 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.25 32.04 75.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.87 109.51 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 44.5 tt0 -72.98 137.04 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.67 154.08 34.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -113.67 119.13 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.08 103.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.51 -12.79 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -103.28 168.4 9.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 22' ' ' THR . 45.8 p -96.81 164.96 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' A' ' 61' ' ' LEU . 5.8 mt -67.55 -38.93 84.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -45.63 77.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -47.82 -28.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 88.8 m-85 -98.11 19.83 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.8 p-10 45.65 45.89 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 56' ' ' LEU . 47.4 mt -77.67 117.35 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -98.29 173.74 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.2 tttm -68.59 119.6 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER 84.24 77.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -121.28 144.64 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -103.11 93.36 4.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.453 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.5 mp -94.97 141.35 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -95.88 117.74 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 43' ' ' LEU . 3.2 tp -104.28 115.36 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -103.79 154.92 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -84.83 156.83 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -140.05 120.86 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -94.03 105.77 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.6 t -101.16 103.32 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.77 148.89 24.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -115.5 -167.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.17 2.13 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -100.39 -4.67 28.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 -16.26 53.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 2.6 tttm -64.52 136.05 56.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -113.6 122.15 46.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.85 HD11 ' OE1' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -98.64 130.34 45.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 2' ' ' GLN . 55.0 m -109.32 103.19 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.66 150.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 107.49 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 56' ' ' LEU . 1.3 tp -139.69 144.48 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.8 mp0 -90.74 153.49 45.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' OG ' ' A' ' 57' ' ' SER . 51.0 Cg_exo -52.96 -36.83 77.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -57.65 -35.15 70.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.8 m-20 -54.22 153.04 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -108.1 162.47 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 66.7 t -50.1 -30.18 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.995 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -49.86 73.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -59.28 -53.27 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -47.41 -52.14 17.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HE2' HD12 ' A' ' 43' ' ' LEU . 17.1 mmtt -54.37 -53.8 49.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.66 -52.91 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.683 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -55.65 -43.99 76.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.739 HD12 ' OE1' ' A' ' 41' ' ' GLN . 56.8 mt -62.96 -19.12 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.932 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.8 tt0 -90.13 -22.98 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -8.88 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -118.7 -54.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.85 ' OE1' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.25 9.66 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 48.39 31.61 9.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.533 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG13 ' CB ' ' A' ' 34' ' ' GLU . 2.9 mt -99.68 123.07 49.12 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.357 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 97.1 Cg_endo -80.91 149.6 17.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.746 2.297 . . . . 0.0 112.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 22.1 Cg_endo -61.6 -22.14 73.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.232 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.32 -25.64 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -115.89 6.59 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.739 ' OE1' HD12 ' A' ' 30' ' ' ILE . 10.6 mt-30 -93.66 123.99 37.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -119.61 91.61 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.629 HD12 ' HE2' ' A' ' 27' ' ' LYS . 10.4 mt -89.84 134.26 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -137.05 118.19 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -105.35 118.14 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.77 45.24 27.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.03 20.7 74.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 97.07 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.89 130.91 47.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD22 ' CD2' ' A' ' 59' ' ' TYR . 17.5 mt -78.17 157.82 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 9.9 t70 -47.41 146.9 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.41 -19.44 50.33 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.96 153.44 20.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.444 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 55.3 p -90.59 131.91 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 17' ' ' LEU . 54.3 mt -46.24 -29.77 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.813 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -69.93 -19.62 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 19.7 m-20 -71.2 -18.87 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.52 ' CD2' HD22 ' A' ' 50' ' ' LEU . 58.9 m-85 -101.38 31.09 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' TYR . 1.4 p-10 37.0 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 1.1 mt -64.11 133.3 52.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -98.14 -173.46 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 142.49 46.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 45.33 53.29 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -76.62 161.3 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -108.01 110.0 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.12 142.35 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.76 108.2 20.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.46 117.23 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -121.63 150.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.755 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.3 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.32 134.98 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 1' ' ' MET . 11.2 mt -134.7 140.19 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.84 115.51 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.16 107.3 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 12.3 ptmm? -92.95 143.4 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -103.32 -170.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.1 -3.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.4 p -103.56 25.24 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.97 44.87 72.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 1.7 ttpt -120.04 124.23 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.789 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.05 117.54 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 15' ' ' VAL . 1.9 tp -106.34 129.65 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.6 m -108.61 112.64 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 13' ' ' LEU . 2.6 m -122.41 148.39 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 125.58 51.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.911 HD23 ' OD2' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.17 -169.44 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 0.3 OUTLIER -132.76 147.31 65.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 58.1 Cg_exo -51.38 -18.13 5.06 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.299 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -74.46 -28.07 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.911 ' OD2' HD23 ' A' ' 17' ' ' LEU . 46.1 m-20 -68.83 151.86 46.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 25.2 p -108.6 159.91 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 78.1 t -41.22 -47.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.59 -57.54 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.79 -54.08 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.549 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 17' ' ' LEU . 22.9 tp -49.74 -37.02 27.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 26.8 mttt -66.81 -49.23 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.432 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.02 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -69.98 -44.87 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 HD12 ' OE1' ' A' ' 41' ' ' GLN . 4.5 mt -63.27 -18.42 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.985 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.0 tt0 -83.65 -40.25 19.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 6.38 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE3' HG12 ' A' ' 15' ' ' VAL . 21.8 mttm -120.57 -67.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 42.54 95.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.498 ' HB ' HG22 ' A' ' 30' ' ' ILE . 61.2 mt -112.36 119.47 43.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_exo -60.54 136.22 65.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.82 2.347 . . . . 0.0 112.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -58.8 -28.54 87.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.258 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -17.22 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.026 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -119.07 21.11 12.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.559 ' OE1' HD12 ' A' ' 30' ' ' ILE . 37.3 mt-30 -100.34 100.2 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 ttm-85 -98.93 99.82 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.812 HD13 HD12 ' A' ' 50' ' ' LEU . 45.5 mt -89.71 123.34 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 44' ' ' ILE . 11.7 mt -121.85 74.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 15.1 t80 -75.04 116.52 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 40.48 30.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.94 -10.0 49.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -92.05 120.53 32.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -80.34 105.46 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 43' ' ' LEU . 21.0 mt -50.2 151.37 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -127.23 116.89 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 10.3 t70 -43.86 138.94 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.24 9.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.556 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 158.14 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 3.9 p -94.44 160.58 14.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 19.4 mt -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.9 -38.83 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.882 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 16.7 m-20 -50.78 -35.53 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ASN . 96.4 m-85 -92.91 34.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' TYR . 12.8 p30 36.5 45.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -80.99 122.09 26.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' LYS . 1.1 mt-30 -102.89 137.67 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -38.33 124.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mm-40 84.14 72.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -134.08 151.94 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -96.93 147.1 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -140.73 129.97 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -92.98 103.69 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 43' ' ' LEU . 65.4 tp -91.16 105.66 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -103.09 152.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.6 tmm? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.524 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.38 154.44 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' A' ' 1' ' ' MET . 39.7 mt -135.88 129.55 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.3 m-30 -96.9 108.44 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -103.88 101.91 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.7 147.76 22.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 p -105.91 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 70' ' ' VAL . 4.0 mm? -77.65 -12.51 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -90.74 -13.16 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.12 -52.19 0.65 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -38.98 130.89 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -113.64 133.91 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.8 mt -96.14 160.03 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -133.46 105.52 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.84 147.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 113.95 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -135.3 -178.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.031 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mm-40 -122.87 160.62 48.4 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.628 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 38.1 Cg_endo -66.55 -5.51 13.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.558 2.172 . . . . 0.0 112.22 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -89.26 -23.8 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.817 ' CG ' HD23 ' A' ' 17' ' ' LEU . 28.9 m-20 -67.64 170.06 8.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.788 0.327 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 55' ' ' THR . 2.2 p -125.21 166.19 16.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 66.8 t -45.99 -47.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -51.8 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -57.1 -54.97 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.1 tp -48.91 -55.09 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 16.7 mttt -55.65 -52.51 63.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.5 -43.55 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' HD11 ' A' ' 17' ' ' LEU . 10.4 mttt -66.72 -45.89 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.9 HD12 ' OE1' ' A' ' 41' ' ' GLN . 20.1 mt -56.38 -30.56 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.7 tt0 -75.63 -35.16 60.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.24 -6.25 56.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.71 -58.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' A' ' 36' ' ' ILE . 3.1 mm-40 -112.65 30.92 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 41.32 33.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.795 ' HB ' HG22 ' A' ' 30' ' ' ILE . 4.5 mt -98.43 109.23 51.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.218 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 16.7 Cg_exo -67.88 140.69 51.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.965 2.443 . . . . 0.0 112.269 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 39.1 Cg_exo -57.11 -29.38 83.0 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.719 2.279 . . . . 0.0 112.195 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -32.72 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -109.5 25.12 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.9 ' OE1' HD12 ' A' ' 30' ' ' ILE . 27.5 mt-30 -104.32 125.31 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 70' ' ' VAL . 29.5 mtt180 -130.39 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 50' ' ' LEU . 7.1 mt -89.7 112.43 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 49' ' ' GLN . 19.6 mm -101.88 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.12 115.27 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.63 22.88 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 44' ' ' ILE . . . 96.63 -6.04 64.84 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.654 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 135.09 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.536 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.2 tt0 -86.06 119.01 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.803 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 43' ' ' LEU . 15.5 mt -63.96 136.85 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -103.42 122.82 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.17 106.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.72 -8.9 4.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -100.91 150.16 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 22' ' ' THR . 47.1 p -91.16 145.92 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.9 mt -45.37 -40.67 8.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -62.55 -38.87 91.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 66.1 m-20 -54.84 -31.48 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 50' ' ' LEU . 27.2 m-85 -95.06 23.23 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p30 39.33 57.55 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -89.25 132.02 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -97.22 175.18 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 51.19 54.29 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 61' ' ' LEU . 51.7 m -77.58 163.85 25.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -113.1 111.41 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.42 144.49 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.59 129.07 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 HD13 ' A' ' 30' ' ' ILE . 7.4 tt -102.43 118.22 36.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -118.64 150.55 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.951 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.832 0.349 . . . . 0.0 111.234 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -72.35 138.98 47.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 17' ' ' LEU . 28.2 mt -138.93 136.3 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -95.04 134.43 37.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.62 103.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 15.2 ptmt -93.3 151.51 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -115.99 -172.45 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -88.88 19.82 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -118.15 -0.44 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 -6.8 82.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -83.05 138.45 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.935 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -119.17 120.05 35.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -97.08 171.54 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.3 m -144.85 109.0 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.88 155.56 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 18.9 mp0 -96.99 106.16 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD23 HD11 ' A' ' 56' ' ' LEU . 1.2 tp -136.11 143.51 44.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -96.39 163.65 20.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 36.4 Cg_endo -65.53 -16.52 54.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.2 p -85.21 -18.32 34.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 169.97 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -122.47 160.31 25.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 94.6 t -50.72 -35.25 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -44.3 89.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.2 m120 -64.01 -47.13 81.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 tp -50.72 -57.14 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' GLN . 14.1 mttt -58.94 -35.39 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.628 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -57.69 -38.17 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -72.26 -42.06 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.016 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -62.88 -25.86 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 1.3 tt0 -86.36 -26.27 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -28.12 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -49.09 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' A' ' 11' ' ' LYS . 1.8 tt0 -94.11 -46.6 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 104.32 27.79 6.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 14.5 mm -99.92 130.88 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_exo -64.93 148.0 89.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 22.7 Cg_exo -63.97 -43.9 14.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.828 2.352 . . . . 0.0 112.256 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -64.44 -13.4 51.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -111.31 20.21 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 1.016 ' OE1' HD12 ' A' ' 30' ' ' ILE . 36.5 mt-30 -115.31 95.98 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -96.12 94.49 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.68 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.734 HD21 HD12 ' A' ' 69' ' ' LEU . 78.7 mt -89.61 125.63 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -117.64 78.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 68.6 t80 -79.88 118.81 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.55 46.77 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.97 33.49 84.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -132.89 111.14 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.726 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.67 101.79 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 43' ' ' LEU . 22.5 mt -50.43 121.72 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.19 116.38 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -45.4 124.22 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.47 -24.52 6.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.531 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.45 162.27 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -95.65 155.36 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD11 HD23 ' A' ' 17' ' ' LEU . 15.5 mt -64.57 -27.73 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 2.2 t -65.77 -30.0 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CB ' HD23 ' A' ' 61' ' ' LEU . 39.4 m-85 -103.53 29.28 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.84 32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -60.28 130.02 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -102.61 -171.78 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CD ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -89.34 130.1 35.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' OE2' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mt-10 69.31 27.96 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -64.57 158.14 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -111.65 102.16 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.3 134.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.09 114.99 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HD21 ' A' ' 43' ' ' LEU . 10.1 tt -103.96 124.07 48.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.776 HG23 ' HB2' ' A' ' 42' ' ' ARG . 26.7 m -114.54 135.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.798 0.332 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -84.04 123.56 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.01 156.98 19.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -122.71 101.34 7.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.77 127.27 42.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.3 ptmm? -115.34 127.41 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.515 HG22 HD12 ' A' ' 69' ' ' LEU . 65.7 p -89.89 -175.42 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -83.53 -3.47 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -90.88 17.01 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.05 17.66 68.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.605 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.26 142.74 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -127.65 113.79 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CD1' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -100.27 152.58 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.5 m -100.77 142.47 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.43 170.84 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.025 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -127.81 123.08 34.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD23 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -149.82 143.95 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -99.04 154.39 37.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.97 -27.41 16.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.823 2.348 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -72.16 -34.54 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-20 -50.12 158.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 55' ' ' THR . 60.3 p -119.58 155.56 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 40.8 t -42.46 -34.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -57.84 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.68 -49.61 56.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.19 -47.08 46.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.396 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -57.21 -43.69 83.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.68 -41.34 66.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.666 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -64.55 -41.37 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.89 HD12 ' OE1' ' A' ' 41' ' ' GLN . 81.1 mt -69.44 -17.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 19.0 tt0 -90.18 -26.17 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -32.33 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -51.02 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -99.05 -46.27 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 95.6 36.06 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.416 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 mt -94.8 127.6 42.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -58.29 135.27 66.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.82 2.347 . . . . 0.0 112.218 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.7 Cg_exo -53.85 -39.01 85.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -33.83 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -92.37 9.38 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.89 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.9 mt-30 -95.74 92.74 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 ttt180 -96.25 94.07 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 80.2 mt -89.7 129.81 36.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.61 94.75 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -102.44 126.97 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.78 33.61 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.55 47.21 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 122.61 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.41 104.38 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -43.96 121.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.08 117.71 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.6 115.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 123.03 -7.07 9.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.67 148.45 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 16.5 p -91.13 139.8 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 17' ' ' LEU . 7.3 mt -46.23 -36.4 6.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -16.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 92.0 m-20 -76.98 -20.73 55.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CE2' HD22 ' A' ' 50' ' ' LEU . 54.7 m-85 -109.5 28.43 8.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.22 54.75 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.5 mt -82.92 119.86 24.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 44.0 mt-30 -107.12 163.35 13.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.7 136.96 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.73 89.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -128.56 155.17 45.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.87 119.3 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.23 133.2 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -95.46 108.09 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.821 HD22 ' N ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -93.99 129.08 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.821 ' N ' HD22 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -122.35 135.5 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 71' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.5 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.2 mt-30 -95.99 143.51 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 17' ' ' LEU . 2.5 mt -133.58 152.89 51.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.29 145.22 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 12' ' ' THR . 35.8 t -135.02 112.02 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 4.4 ptmt -105.12 166.99 10.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -121.87 -172.96 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt -70.16 -22.09 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -90.66 -29.46 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.17 4.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -41.79 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -111.63 142.59 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -110.06 153.38 24.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -144.51 152.55 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.92 100.95 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 3' ' ' LEU . 38.5 mt -133.21 157.29 45.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.2 mm-40 -108.38 157.73 35.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.1 Cg_endo -60.12 -16.33 39.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.207 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 p -81.81 -23.49 36.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 55' ' ' THR . 87.7 m-20 -60.77 173.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -129.72 163.4 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.0 t -48.57 -29.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -48.85 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.23 -49.44 77.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.3 tp -59.93 -53.51 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 15.8 mttt -49.91 -48.2 51.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.1 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -56.1 -36.31 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.565 HD12 ' OE1' ' A' ' 41' ' ' GLN . 21.9 mt -75.89 -20.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -88.83 -22.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -27.33 19.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.229 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -100.56 -52.13 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB2' HG12 ' A' ' 36' ' ' ILE . 1.8 mm-40 -89.81 -7.32 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 64.03 25.89 69.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.562 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 34' ' ' GLU . 3.8 mm -97.39 131.64 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 98.7 Cg_endo -80.28 142.8 15.26 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 19.2 Cg_endo -59.0 -22.56 64.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.835 2.356 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.58 -36.44 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.501 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 6.6 mt-30 -102.35 3.14 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.565 ' OE1' HD12 ' A' ' 30' ' ' ILE . 8.6 mt-30 -91.71 130.32 37.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -129.21 101.33 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.68 118.95 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 42' ' ' ARG . 39.6 mm -106.44 121.52 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 6.5 t80 -129.92 109.41 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.49 59.99 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.65 18.56 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.647 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 14.0 mttp -126.64 129.16 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG2' HD13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -86.65 126.46 34.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.44 130.26 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' HG21 ' A' ' 23' ' ' VAL . 18.6 mm-40 -96.23 131.94 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.59 93.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.61 -15.13 1.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -92.0 158.87 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 47.4 p -95.59 142.62 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 61' ' ' LEU . 9.9 mt -46.75 -38.49 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -32.54 71.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' THR . 73.7 m-20 -60.87 -21.49 63.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -104.07 25.0 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 44.38 39.58 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 10.2 mt -70.96 156.55 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -143.91 149.1 36.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 134.4 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.45 81.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -124.95 163.0 23.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -120.41 93.67 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.38 136.42 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.509 ' NE2' ' HD3' ' A' ' 6' ' ' LYS . 11.2 m170 -96.41 137.14 35.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.0 tt -107.9 123.04 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -117.89 147.61 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.866 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.911 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.39 138.23 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 mt -123.4 145.14 49.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 m-85 -108.54 105.29 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 t -94.12 134.61 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -121.05 172.85 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.472 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 63.6 p -123.11 172.66 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -15.87 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -91.18 -54.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.34 -39.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.562 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 124.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -123.68 117.67 25.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 168.17 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.4 m -129.67 142.32 50.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 m -137.4 149.41 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -98.72 111.97 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 56' ' ' LEU . 1.6 tp -138.41 174.96 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 mm-40 -118.48 157.18 50.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 57' ' ' SER . 35.8 Cg_endo -64.86 -17.7 60.2 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.284 . . . . 0.0 112.193 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -85.97 -21.8 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.8 m-20 -59.88 179.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 55' ' ' THR . 4.7 p -135.07 166.93 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.691 HG12 ' HG3' ' A' ' 27' ' ' LYS . 55.8 t -46.59 -45.92 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -44.02 -51.05 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.75 -54.18 45.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.02 -53.73 30.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HG3' HG12 ' A' ' 23' ' ' VAL . 15.6 mttt -57.93 -42.39 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.3 53.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -67.01 -46.96 72.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.689 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.705 HD13 HD22 ' A' ' 69' ' ' LEU . 8.0 mt -61.8 -18.38 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.7 tt0 -89.9 -25.65 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -42.76 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -54.34 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.87 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 127.04 30.26 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.579 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CG2' ' A' ' 30' ' ' ILE . 5.9 mt -100.22 131.97 23.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 95.4 Cg_endo -81.33 145.83 15.26 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.739 2.293 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.3 Cg_exo -59.04 -26.71 82.68 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.772 2.314 . . . . 0.0 112.306 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 1.2 p-10 -72.89 -9.03 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.65 6.17 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' OE1' HD12 ' A' ' 30' ' ' ILE . 9.6 mt-30 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -126.75 102.57 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.863 HD13 HD12 ' A' ' 50' ' ' LEU . 26.4 mt -89.99 109.33 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' ILE . 50.7 mm -111.85 76.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -69.62 94.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.79 22.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.92 -5.13 24.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -94.12 108.88 20.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -82.62 111.14 18.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 43' ' ' LEU . 46.6 mt -74.58 125.91 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.96 140.19 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 135.02 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.76 -19.8 40.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.85 144.33 26.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' THR . 61.5 p -90.58 143.3 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 17' ' ' LEU . 20.1 mt -42.7 -45.94 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -54.69 -44.6 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 55' ' ' THR . 94.0 m-20 -45.37 -37.98 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 50' ' ' LEU . 64.5 m-85 -90.65 23.78 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' SER . 4.1 p-10 38.83 69.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.88 165.4 12.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -130.83 170.38 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -66.4 124.22 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 69.4 71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -103.12 158.94 15.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.7 m -111.78 96.62 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 43' ' ' LEU . 3.7 mt -96.53 132.31 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -91.18 99.58 12.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 30' ' ' ILE . 15.1 tp -87.0 114.32 23.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 42' ' ' ARG . 27.3 m -118.44 150.19 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 71' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' HD11 ' A' ' 3' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.634 ' OE1' HG22 ' A' ' 14' ' ' THR . 7.1 tp-100 -69.79 121.32 17.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.584 HD11 ' SD ' ' A' ' 1' ' ' MET . 13.2 mt -128.09 153.93 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -109.71 143.1 39.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.69 118.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 68' ' ' HIS . 14.3 ptmm? -95.06 136.31 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -94.39 -160.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp -82.0 -17.55 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -95.85 4.88 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.05 -28.58 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -38.2 131.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.54 111.94 24.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 15' ' ' VAL . 1.5 tp -93.35 141.01 28.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.634 HG22 ' OE1' ' A' ' 2' ' ' GLN . 6.0 m -119.03 99.54 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 13' ' ' LEU . 17.1 m -112.81 158.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -123.79 126.46 46.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 1' ' ' MET . 8.9 mt -140.77 -174.23 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.28 154.54 48.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.18 -18.64 64.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.796 2.331 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 p -82.04 -23.33 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -57.37 174.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 55' ' ' THR . 70.7 p -130.54 165.89 21.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.51 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 99.6 t -44.46 -43.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' HG3' ' OD1' ' A' ' 52' ' ' ASP . 2.1 mt-10 -52.16 -52.23 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.656 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 12.5 m120 -53.16 -51.19 62.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -53.83 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.599 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 41.0 mttt -50.59 -44.4 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -45.42 -53.2 9.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.759 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 1.8 mttp -60.75 -39.46 88.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.899 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.2 mt -56.68 -29.74 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -85.59 -21.13 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -14.5 33.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.31 -58.0 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.92 -6.31 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 57.58 32.61 65.2 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.572 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HB ' HG22 ' A' ' 30' ' ' ILE . 51.9 mt -96.5 123.19 55.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.708 0.29 . . . . 0.0 111.046 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.4 Cg_exo -62.06 138.2 71.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.8 2.333 . . . . 0.0 112.206 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 -25.83 51.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.01 -22.24 65.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.529 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.15 14.97 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.741 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.899 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.7 mt-30 -90.71 117.0 29.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' CB ' HG23 ' A' ' 70' ' ' VAL . 3.5 mtt85 -116.14 104.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.756 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HD12 ' A' ' 50' ' ' LEU . 69.6 mt -89.84 115.9 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 21.3 mm -114.68 89.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 12.4 t80 -101.81 104.68 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.16 38.35 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 0.9 87.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 10.0 mttt -98.43 144.96 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -106.24 104.48 14.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.916 HD12 HD13 ' A' ' 43' ' ' LEU . 5.3 mt -54.73 120.22 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -93.57 127.0 39.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.5 t70 -56.28 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.74 -21.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -91.0 160.14 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 22' ' ' THR . 82.3 p -94.72 144.24 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.9 mt -40.56 -43.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -62.93 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -50.59 -34.62 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 30.3 m-85 -96.21 25.98 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 41.19 78.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.5 mt -105.7 110.04 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -90.02 178.82 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -78.21 143.34 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.01 49.66 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -99.64 148.11 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -110.81 113.39 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.65 140.78 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -91.94 121.26 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.596 HD22 HD13 ' A' ' 30' ' ' ILE . 11.6 tp -114.28 115.67 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 ' CB ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -115.03 142.45 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 40' ' ' GLN . 10.3 tp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.456 ' CB ' ' HD2' ' A' ' 63' ' ' LYS . 14.6 ptt? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.25 142.73 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 17' ' ' LEU . 65.5 mt -130.63 142.22 50.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.85 136.49 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.33 121.08 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 5.8 ptpt -106.93 153.05 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -105.28 -174.62 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.737 HD21 HG13 ' A' ' 70' ' ' VAL . 5.1 mt -78.13 -1.27 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -113.66 -8.94 13.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.17 -7.62 44.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.574 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 97.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -91.87 149.05 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD12 ' OE2' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -131.54 162.48 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -126.22 110.15 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.05 173.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -125.47 121.86 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 3' ' ' LEU . 5.5 mt -148.93 178.75 8.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 mm-40 -113.92 156.85 43.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.6 Cg_endo -64.66 -21.03 65.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.763 2.309 . . . . 0.0 112.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 p -85.55 -17.83 35.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -53.73 163.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -109.25 156.93 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 27' ' ' LYS . 16.2 t -51.14 -34.5 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -44.12 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.56 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -58.7 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.438 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -57.3 -54.61 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.598 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD11 ' A' ' 43' ' ' LEU . 2.7 mttm -54.12 -42.87 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.457 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 mmtm -60.86 -44.06 97.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.376 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.767 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.7 mt -68.0 -17.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -88.32 -24.71 23.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -13.49 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -112.87 -55.1 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.506 ' OE1' HD11 ' A' ' 36' ' ' ILE . 22.1 mt-10 -91.43 -3.71 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 62.19 24.1 64.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.392 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.52 HD12 ' CG2' ' A' ' 30' ' ' ILE . 4.0 mt -94.57 124.94 53.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.3 Cg_endo -78.75 141.38 17.13 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.689 2.259 . . . . 0.0 112.6 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.59 -20.76 43.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.81 2.34 . . . . 0.0 112.047 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -72.11 -32.94 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.96 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -105.48 1.48 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.767 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.5 mt-30 -90.18 133.92 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.8 ttt-85 -128.84 96.53 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD11 ' HG3' ' A' ' 27' ' ' LYS . 3.8 mt -89.8 138.73 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.042 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 43' ' ' LEU . 9.1 mt -137.94 127.85 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 6.2 t80 -116.71 111.99 20.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.09 45.83 15.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.5 25.44 67.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.57 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.74 94.14 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 119.93 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.5 mt -71.4 152.18 43.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 16.5 mt-10 -125.89 122.6 36.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -49.78 111.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.42 -17.16 4.79 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -92.64 166.31 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.8 p -106.47 141.3 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.9 mt -45.09 -38.34 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 76.4 m-20 -58.55 -21.55 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 61' ' ' LEU . 62.6 m-85 -102.89 25.17 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER 37.06 53.67 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.84 169.14 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.08 -170.26 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.15 132.37 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 58.41 73.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 32.5 m -103.26 159.79 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.0 m -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.4 mt -105.2 135.15 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 11.6 m170 -90.34 122.43 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.0 tt -100.15 108.5 20.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG13 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.7 151.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.849 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.461 ' HE1' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.756 0.312 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 135.4 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.75 142.19 51.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 64' ' ' GLU . 1.2 m-85 -105.25 111.62 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.06 120.63 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 9.6 ptmt -107.74 165.14 11.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -119.73 -179.11 3.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.07 -9.16 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 -23.15 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 14.45 11.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 128.53 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 0.0 110.775 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -114.56 132.62 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.5 pp -127.51 140.14 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 m -95.64 122.23 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -121.81 147.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.28 116.06 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 mt -141.07 -178.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.6 mm-40 -127.3 151.83 75.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG3' ' HE1' ' A' ' 1' ' ' MET . 32.5 Cg_exo -58.16 -17.43 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.801 2.334 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.6 p -88.17 0.15 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' THR . 1.3 m-20 -74.05 158.31 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 60.6 p -112.01 160.74 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 95.7 t -48.89 -47.26 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.41 -41.23 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -61.99 -60.64 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 7.9 tp -48.69 -43.25 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 110.348 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 1.7 mmtt -57.21 -44.74 83.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.306 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.77 -41.83 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -60.53 -43.45 97.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 69' ' ' LEU . 14.2 mt -70.86 -19.27 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 10.5 tt0 -89.05 -27.44 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -9.91 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 15' ' ' VAL . 8.7 mtmm -119.24 -56.34 2.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.93 -1.15 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.53 34.71 35.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.602 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mt -107.45 120.65 46.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.3 Cg_exo -60.94 153.48 63.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.812 2.342 . . . . 0.0 112.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.9 Cg_exo -60.33 -42.77 39.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.849 2.366 . . . . 0.0 112.336 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.0 -20.3 57.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -107.94 22.43 15.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.74 ' OE1' HD12 ' A' ' 30' ' ' ILE . 44.4 mt-30 -110.67 133.72 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.3 ttt85 -140.33 86.31 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.635 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' ILE . 12.8 mt -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.516 HD12 ' HG3' ' A' ' 49' ' ' GLN . 8.8 mm -121.54 78.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 45.3 t80 -54.56 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 52.69 38.65 26.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 100.76 5.48 53.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.575 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 7.8 mttm -108.53 105.42 15.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -73.23 104.35 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.9 mt -50.36 126.96 16.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 22.9 mm-40 -101.41 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -39.82 146.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.027 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 -13.43 59.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 51' ' ' GLU . 7.0 mmt180 -95.1 157.3 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.5 p -94.3 157.66 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -59.56 -33.52 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.43 -7.96 50.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HD23 ' A' ' 61' ' ' LEU . 35.6 m-85 -119.01 27.22 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 49.76 29.42 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -50.19 133.19 23.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -172.28 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 3.6 ttpp -87.68 117.84 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . 6.1 mt-10 79.27 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -77.51 154.12 32.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -112.94 97.09 6.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 43' ' ' LEU . 9.2 mt -98.27 144.95 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -101.82 113.73 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 30' ' ' ILE . 5.3 tp -93.07 116.89 29.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -125.7 149.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.1 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.78 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.86 160.09 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -147.82 150.44 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -116.87 138.29 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -130.48 118.03 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 147.48 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -104.25 -158.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 70' ' ' VAL . 7.7 mt -89.69 33.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 -44.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.87 -37.74 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HD3' ' OE2' ' A' ' 34' ' ' GLU . 27.6 ttmt -42.73 106.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.1 139.86 30.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.3 125.82 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.45 108.38 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.18 158.67 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.19 129.54 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 56' ' ' LEU . 1.8 tp -147.29 -170.66 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.35 153.58 76.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 23.8 Cg_endo -61.56 -20.85 70.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -81.31 -16.56 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' THR . 14.5 m-20 -69.92 166.12 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.4 p -120.5 167.73 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 51' ' ' GLU . 11.6 t -50.2 -46.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -44.46 16.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.93 -52.19 60.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 43' ' ' LEU . 20.0 tp -50.54 -52.16 41.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.8 mmtt -55.09 -52.05 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.08 -41.53 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 17' ' ' LEU . 6.5 mmtm -64.31 -46.16 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.968 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.0 mt -61.07 -26.12 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.484 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 59.5 tt0 -85.06 -15.59 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -34.41 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -99.35 -51.2 3.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 36' ' ' ILE . 4.3 mm-40 -93.71 3.53 55.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.276 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.1 37.32 5.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.45 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 34' ' ' GLU . 37.0 mt -104.36 121.82 46.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.9 Cg_exo -59.66 133.85 54.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.836 2.357 . . . . 0.0 112.231 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.8 Cg_exo -55.83 -31.0 79.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.254 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.53 -31.38 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.83 23.65 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' OE1' HD12 ' A' ' 30' ' ' ILE . 39.7 mt-30 -104.18 120.74 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 12.5 ttp180 -115.17 89.61 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 26' ' ' LEU . 1.8 mt -90.15 113.12 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.559 HG22 ' CA ' ' A' ' 47' ' ' GLY . 54.3 mt -117.14 78.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' A' ' 50' ' ' LEU . 14.3 t80 -61.99 110.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.86 37.65 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.559 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 85.16 4.55 86.51 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -103.06 120.56 40.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.0 120.51 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 45' ' ' PHE . 9.9 mt -75.03 131.43 40.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.572 ' O ' HG21 ' A' ' 23' ' ' VAL . 6.1 mt-10 -96.21 125.39 40.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 7.0 t70 -54.52 99.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.38 -10.89 3.8 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -91.32 146.99 23.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' ASP . 5.7 p -90.43 139.16 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.841 HD11 HD23 ' A' ' 17' ' ' LEU . 10.0 mt -41.85 -35.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -64.79 -34.1 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' THR . 17.6 m-20 -56.59 -27.97 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.622 ' HB2' HD23 ' A' ' 61' ' ' LEU . 68.2 m-85 -102.48 29.84 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 39.04 41.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -61.44 149.31 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.93 -179.26 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 122.26 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.82 82.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -111.68 137.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 m -97.53 100.22 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -104.93 149.08 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.34 128.3 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD12 HD23 ' A' ' 43' ' ' LEU . 1.9 tp -113.5 128.61 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -128.21 -162.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' H ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 17.9 ptt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.912 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.7 mt-30 -91.15 158.78 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 2' ' ' GLN . 5.8 mt -143.42 136.42 27.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -104.27 128.93 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.5 108.29 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -99.01 139.97 33.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -96.44 -164.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -3.44 36.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 2.0 p -102.61 -59.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . 159.94 -38.06 0.46 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 124.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -108.35 115.35 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.98 134.61 34.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -107.21 123.76 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.95 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 4.3 mp0 -111.95 120.22 41.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB3' ' OD2' ' A' ' 21' ' ' ASP . 50.2 mt -148.52 176.63 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -113.92 158.69 38.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 30.3 Cg_endo -63.3 -18.23 63.81 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.623 2.215 . . . . 0.0 112.202 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.49 -15.82 57.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 17' ' ' LEU . 67.0 m-20 -67.97 162.53 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 55' ' ' THR . 13.2 p -117.13 161.02 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 76.5 t -47.94 -37.96 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.53 -46.4 66.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.409 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.22 -52.43 62.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.0 tp -50.55 -48.39 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.228 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 17.3 mmtt -57.71 -47.51 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.35 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.48 23.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.16 -48.3 80.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.439 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.971 HD12 ' OE1' ' A' ' 41' ' ' GLN . 7.7 mt -58.29 -23.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 44.4 tt0 -90.52 -22.82 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.686 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -5.0 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -120.73 -62.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -90.17 -15.31 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 69.08 38.19 83.37 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.0 mt -102.21 130.88 23.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.3 Cg_exo -60.92 149.22 89.72 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.587 2.191 . . . . 0.0 112.041 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 38.9 Cg_exo -59.97 -36.56 89.56 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.928 2.419 . . . . 0.0 112.614 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.22 0.64 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.335 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -116.35 6.36 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.971 ' OE1' HD12 ' A' ' 30' ' ' ILE . 29.0 mt-30 -107.05 92.2 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.255 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.5 ttm180 -96.11 92.04 6.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.333 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 50' ' ' LEU . 5.7 mt -89.6 121.06 31.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 47' ' ' GLY . 19.4 mm -111.39 71.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.961 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' CE2' ' OD1' ' A' ' 60' ' ' ASN . 41.8 t80 -52.1 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.32 25.85 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 113.42 -1.53 25.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.73 119.81 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -87.45 96.88 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 43' ' ' LEU . 17.3 mt -55.56 118.14 4.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.3 mt-10 -109.55 110.14 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -34.9 132.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.1 -32.46 5.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.22 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -89.95 148.38 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.76 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 22' ' ' THR . 30.6 p -92.41 154.33 18.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.98 -39.54 59.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -70.37 -17.42 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 77.4 m-20 -81.7 -10.3 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 34.2 m-85 -107.24 -86.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.77 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 42.5 p-10 173.03 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -79.25 114.37 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.37 175.98 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 1.0 OUTLIER -64.63 116.45 6.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 32.8 mt-10 64.79 81.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -121.03 164.0 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -103.68 135.85 44.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.796 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.534 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 8.2 mt -129.43 142.27 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.89 100.31 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.785 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.3 tt -82.86 97.84 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.7 t -97.76 158.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.874 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.164 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ttp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -78.75 155.82 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.8 mt -139.52 143.17 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -111.6 113.72 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' THR . 22.3 t -104.32 120.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.83 145.06 29.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' LYS . 33.0 p -110.0 167.35 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 70' ' ' VAL . 9.7 mp -58.81 -20.37 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -95.56 -1.18 51.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.92 -34.74 4.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 7' ' ' THR . 25.0 tptt -42.18 100.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.3 m -101.01 120.73 40.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -110.19 148.94 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 17.6 m -119.5 147.17 44.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.77 175.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.5 121.9 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.035 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 29' ' ' LYS . 9.1 tp -150.19 160.68 43.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -99.24 156.27 35.62 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.7 Cg_endo -64.25 -20.92 67.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.821 2.347 . . . . 0.0 112.289 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -73.74 -15.99 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' OD1' ' HG ' ' A' ' 17' ' ' LEU . 2.4 m-20 -66.07 160.56 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -110.87 162.85 14.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 99.0 t -48.17 -48.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -43.53 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.41 -56.44 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.1 tp -50.02 -55.47 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' NZ ' HD12 ' A' ' 43' ' ' LEU . 39.3 mttp -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.471 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HE3' HD13 ' A' ' 17' ' ' LEU . 4.5 mmtt -62.56 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.757 HD12 ' OE1' ' A' ' 41' ' ' GLN . 62.3 mt -61.9 -19.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.9 tt0 -82.61 -30.45 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -3.6 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -115.37 -59.3 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.068 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 10.7 mm-40 -99.95 12.14 37.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.1 38.09 38.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.755 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.601 HG22 ' HG3' ' A' ' 41' ' ' GLN . 3.1 mt -106.45 124.8 34.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 90.8 Cg_endo -80.91 150.12 18.14 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.892 2.395 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.2 Cg_exo -59.83 -31.09 93.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.833 2.355 . . . . 0.0 112.185 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 5.0 p-10 -67.52 -26.42 66.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.0 mt-30 -108.94 7.54 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.757 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.5 mt-30 -100.25 127.11 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 70' ' ' VAL . 52.7 mtp85 -131.84 92.64 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.596 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 27' ' ' LYS . 8.2 mt -89.33 134.17 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 70' ' ' VAL . 1.8 mt -128.91 109.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -113.25 127.92 56.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.54 29.74 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.213 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 21.38 68.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.73 110.33 16.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 104.01 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 11.0 mt -52.23 122.98 9.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -97.9 118.15 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -49.37 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.64 -18.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.33 160.61 14.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 p -90.05 159.56 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.4 mt -59.06 -40.4 85.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -26.19 64.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' THR . 97.6 m-20 -67.3 -8.65 33.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 89.4 m-85 -117.65 27.14 9.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 p30 40.26 41.06 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.2 mt -67.04 161.87 23.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -147.44 166.22 27.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -43.08 141.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 41.63 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -105.28 156.72 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -116.67 95.05 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.09 144.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.37 103.01 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 41' ' ' GLN . 7.3 tp -79.76 118.68 21.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -110.66 152.53 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 ttp . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.862 0.363 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -91.71 110.79 22.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -111.62 163.93 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CD1' HG23 ' A' ' 14' ' ' THR . 16.1 m-30 -119.15 160.77 21.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -149.03 96.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 14.3 ptmt -89.86 157.87 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -122.89 -167.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.02 4.12 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 14.9 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.23 11.22 70.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 3.8 tttp -87.02 122.75 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -104.63 114.88 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.06 160.81 14.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 4' ' ' PHE . 33.6 m -147.27 119.77 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.57 165.34 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.18 107.73 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD21 ' HG3' ' A' ' 29' ' ' LYS . 1.1 mt -129.48 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -114.38 150.78 44.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 16.5 Cg_endo -57.73 -21.28 47.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.811 2.341 . . . . 0.0 112.206 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.9 p -76.75 -15.6 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.6 m-20 -68.23 165.37 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -124.96 163.4 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG12 ' HD2' ' A' ' 27' ' ' LYS . 77.5 t -44.43 -49.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -48.39 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.719 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 29.7 m120 -56.99 -55.31 36.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 tp -45.75 -53.05 10.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.366 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' HG12 ' A' ' 23' ' ' VAL . 6.3 mttt -55.53 -44.65 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.256 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -50.13 -38.37 38.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.685 ' HG3' HD21 ' A' ' 17' ' ' LEU . 4.2 mmmt -66.48 -46.81 75.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.253 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.13 -20.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 44.8 tt0 -83.55 -30.41 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.591 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -9.67 46.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -105.54 -67.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 6.2 mm-40 -89.84 5.74 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 37.24 87.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 8.2 mt -112.85 137.61 21.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 78.6 Cg_endo -78.73 149.63 23.59 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.637 2.225 . . . . 0.0 111.885 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.1 Cg_exo -56.49 -33.16 91.78 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 2.295 . . . . 0.0 112.537 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.84 4.84 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.612 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.559 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 88.0 mt-30 -124.71 3.79 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.642 0.258 . . . . 0.0 111.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -119.41 128.94 54.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.361 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.615 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -117.21 122.12 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 26' ' ' LEU . 7.5 mt -112.96 130.43 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -126.36 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -80.18 121.84 26.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.84 29.85 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.87 -8.07 80.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -91.65 121.55 33.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 103.28 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 43' ' ' LEU . 14.9 mt -45.17 130.49 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -100.92 113.85 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 53.9 t0 -54.51 90.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.27 -24.18 0.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 166.79 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 59.9 p -92.17 170.98 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 61' ' ' LEU . 5.6 mt -68.28 -51.34 46.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.765 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -16.83 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' THR . 37.8 m-20 -70.21 -16.67 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ASN . 57.7 m-85 -111.42 36.54 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER 36.98 34.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 56' ' ' LEU . 3.7 mt -69.23 118.68 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -94.04 -175.4 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -71.42 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 66.75 73.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.2 m -104.75 146.36 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -98.45 107.19 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.9 mt -101.49 131.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.44 117.57 29.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -98.76 130.34 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -120.62 137.95 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.31 147.85 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD22 HD12 ' A' ' 61' ' ' LEU . 16.4 mt -138.81 129.21 25.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 5.6 m-30 -92.65 139.6 30.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.6 144.1 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -130.45 153.53 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -117.16 -156.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.73 14.24 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -118.11 -8.74 10.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.49 80.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -81.67 126.67 32.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.3 129.24 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.8 158.83 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -132.61 114.18 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 m -122.84 157.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.7 108.06 17.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -138.54 147.08 42.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.1 mm-40 -92.06 156.96 41.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.4 Cg_endo -63.11 -13.79 37.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.051 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 p -85.48 -29.34 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 13.0 m-20 -56.9 158.16 5.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.778 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.4 p -109.45 159.63 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 98.2 t -44.88 -47.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.4 -49.25 18.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.2 m120 -58.05 -49.81 75.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 8.6 tp -49.61 -50.15 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -54.48 -42.87 71.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.261 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -53.66 -43.12 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -39.79 91.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.184 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.876 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.8 mt -66.39 -22.83 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.554 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 53.9 tt0 -88.24 -31.12 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -11.42 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -114.16 -63.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.83 -20.91 22.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 73.35 43.4 38.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.62 132.27 21.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 39.7 Cg_exo -57.1 147.13 77.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.825 2.35 . . . . 0.0 112.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -58.02 -49.27 13.23 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.85 2.367 . . . . 0.0 112.369 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 -3.37 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.561 ' OE1' HD21 ' A' ' 71' ' ' LEU . 3.6 mt-30 -104.47 10.87 35.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.876 ' OE1' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -124.73 120.87 33.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.886 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -107.78 101.73 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.91 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 mt -89.84 103.44 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.17 83.47 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CD1' HG13 ' A' ' 67' ' ' ILE . 14.1 t80 -82.84 121.14 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.32 11.29 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.35 -18.41 35.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.384 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 137.95 32.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' O ' ' OE1' ' A' ' 51' ' ' GLU . 27.0 tt0 -89.41 127.63 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.91 HD12 ' HB2' ' A' ' 43' ' ' LEU . 8.6 mt -69.98 139.05 52.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 49' ' ' GLN . 2.6 mp0 -97.61 130.52 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -61.04 104.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.41 -8.5 4.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -99.54 152.42 20.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 18.1 p -90.14 145.62 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 7.0 mt -50.08 -35.49 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -72.16 -12.44 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' THR . 84.9 m-20 -85.53 -5.95 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.075 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 18.6 m-85 -113.61 -78.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 p-10 163.41 41.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -84.03 119.9 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -99.95 176.51 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 117.56 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.0 76.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.4 m -108.83 -175.48 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.408 ' C ' HD12 ' A' ' 67' ' ' ILE . 33.8 m -128.89 133.02 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.9 mp -136.57 138.93 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.19 112.6 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 69' ' ' LEU . 4.4 tt -99.07 105.64 17.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.535 ' CG2' ' HB3' ' A' ' 42' ' ' ARG . 29.2 m -112.21 142.91 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD21 ' OE1' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -66.05 146.23 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 119.1 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -92.33 137.93 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mpp_? -37.71 150.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.05 -70.7 0.49 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.491 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -112.41 150.59 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.33 164.82 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -111.4 139.31 46.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.12 118.9 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -115.37 145.24 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -96.14 177.87 5.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -13.65 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.31 -17.92 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 117.21 -41.31 2.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.273 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -36.65 132.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -129.94 143.97 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' OE2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -136.88 164.01 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -123.18 128.52 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.12 163.58 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.57 113.63 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 21' ' ' ASP . 10.4 mt -141.97 175.09 10.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.5 mm-40 -107.42 158.12 33.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.2 Cg_endo -65.06 -14.23 44.12 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.248 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.9 m-20 -50.34 166.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 3.0 p -118.35 161.22 20.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 51' ' ' GLU . 3.2 t -51.04 -39.53 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -42.68 76.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.505 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.51 -59.51 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -48.65 -54.4 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 14.7 mmtt -55.56 -50.83 68.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.541 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.37 -45.62 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.728 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -42.92 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 5.8 mt -62.24 -19.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.019 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.4 tt0 -88.6 -27.56 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -31.51 16.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -90.95 -52.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.492 ' OE2' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -89.84 -9.34 49.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 68.64 22.6 75.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.614 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.7 mt -110.76 117.33 50.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.207 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 29.6 Cg_exo -61.81 153.23 69.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.742 2.295 . . . . 0.0 112.191 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 41.8 Cg_endo -67.82 -28.92 35.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.86 -17.0 60.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.05 21.85 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 29.6 mt-30 -100.92 122.68 43.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.7 ttt180 -117.67 90.83 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 50' ' ' LEU . 15.1 mt -91.05 131.75 36.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 47' ' ' GLY . 71.0 mt -137.29 93.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -74.55 107.25 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.22 23.29 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.036 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 108.58 -10.13 35.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -91.21 109.78 21.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.68 120.96 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 43' ' ' LEU . 24.4 mt -68.41 140.93 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.769 ' O ' HG21 ' A' ' 23' ' ' VAL . 3.7 mt-10 -111.61 133.56 53.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.35 146.86 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.29 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -89.67 149.58 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.805 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.523 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 43.6 p -89.74 166.79 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 9.2 mt -67.44 -50.19 60.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -60.26 -27.32 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 28.5 m-20 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 65.7 m-85 -93.14 21.22 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER 41.96 70.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.2 mm? -93.32 179.3 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 61' ' ' LEU . 46.1 mm-40 -143.52 164.32 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 139.05 56.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.99 71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -112.77 135.32 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -127.13 131.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -92.52 114.94 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -103.45 131.33 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.05 141.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.72 134.72 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -47.88 148.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.09 18.6 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -171.91 132.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.08 45.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.51 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.72 160.24 18.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.736 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 mt -145.92 140.77 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -102.19 126.41 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 30' ' ' ILE . 32.3 t -118.63 99.11 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -93.77 139.73 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -99.86 -164.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.58 -12.3 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -90.5 -30.19 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.93 14.6 7.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -90.59 110.2 21.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 m -98.31 114.73 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.066 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.29 132.92 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -107.69 96.16 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.11 159.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.72 112.67 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.724 HD21 ' CE ' ' A' ' 29' ' ' LYS . 3.8 mt -144.63 177.76 8.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -111.45 156.26 41.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 19.8 Cg_endo -58.24 -22.97 59.89 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.806 2.338 . . . . 0.0 112.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -75.28 -35.77 61.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HB2' HD12 ' A' ' 56' ' ' LEU . 16.4 m-20 -46.11 149.06 0.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG22 ' A' ' 55' ' ' THR . 34.1 p -99.39 157.21 16.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 54' ' ' ARG . 62.0 t -46.97 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CG ' ' OD1' ' A' ' 52' ' ' ASP . 2.7 mt-10 -58.6 -51.55 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.457 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -55.07 -48.26 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.323 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -55.96 -55.01 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.46 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HD2' HG12 ' A' ' 23' ' ' VAL . 15.2 mttp -52.78 -40.85 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.04 74.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.547 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.724 ' CE ' HD21 ' A' ' 17' ' ' LEU . 3.3 mptp? -57.45 -45.57 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.318 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.687 ' CG2' HD12 ' A' ' 36' ' ' ILE . 6.1 mt -68.45 -17.99 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -90.26 -35.91 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.645 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.96 5.52 40.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -126.62 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -103.29 -10.8 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.61 32.28 67.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.371 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.687 HD12 ' CG2' ' A' ' 30' ' ' ILE . 1.8 mt -100.12 125.97 38.04 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.228 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 85.4 Cg_endo -79.72 142.21 15.89 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.819 2.346 . . . . 0.0 112.526 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 58.1 Cg_exo -52.28 -22.36 15.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.889 2.393 . . . . 0.0 112.348 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -47.65 79.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.6 mt-30 -93.43 0.44 56.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.177 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.0 mt-30 -89.75 106.54 18.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.337 . . . . 0.0 111.208 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 15.1 mtp180 -110.86 103.06 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.6 mt -90.08 127.09 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 43' ' ' LEU . 5.1 mm -126.17 99.79 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 45.5 t80 -99.35 121.05 40.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.11 30.75 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.53 22.43 53.8 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -121.24 123.21 41.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.47 113.14 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 43' ' ' LEU . 9.5 mt -66.42 148.43 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -129.05 134.06 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 12.2 t0 -47.47 114.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.95 -25.68 3.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.585 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.89 148.43 22.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 36.9 p -90.08 157.65 17.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 21' ' ' ASP . 22.2 mt -59.42 -42.78 92.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 48.0 t -61.22 -32.48 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.78 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 91.6 m-20 -57.87 -29.77 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 50' ' ' LEU . 85.1 m-85 -92.8 23.21 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.95 42.21 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.534 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mt -75.24 125.44 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -95.76 -174.85 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -71.11 139.0 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 50.34 68.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -92.97 174.73 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.4 m -126.47 101.82 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.43 146.48 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.82 110.52 22.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tt -88.03 115.38 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -109.68 150.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.059 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.679 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.8 mm? -96.9 125.99 41.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -35.53 150.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.961 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -34.66 146.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.044 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.88 -179.23 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.69 63.21 5.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.2 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.97 99.83 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.6 mt -96.34 163.55 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 m-85 -113.96 158.98 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 64.5 t -143.13 105.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 16.5 ptmt -95.84 151.02 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.55 -176.38 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -85.04 -7.63 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -96.63 -44.45 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.35 38.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 106.44 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 23.5 m -103.08 125.72 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HG ' ' HB ' ' A' ' 5' ' ' VAL . 1.7 pp -115.48 -173.31 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -147.77 139.25 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.56 152.76 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.28 103.31 15.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' OD2' ' A' ' 21' ' ' ASP . 13.5 mt -132.53 140.54 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.52 151.5 41.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 57' ' ' SER . 75.0 Cg_exo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 p -65.64 -40.55 92.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.613 ' OD2' HD22 ' A' ' 17' ' ' LEU . 2.0 m-20 -45.68 155.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 161.97 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 43' ' ' LEU . 22.3 t -46.36 -37.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -59.67 -50.25 74.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -53.34 -44.54 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 HD13 ' A' ' 43' ' ' LEU . 10.1 tp -56.96 -52.82 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.611 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 18.9 mttt -58.32 -50.72 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.07 -45.88 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -62.2 -47.5 84.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 69' ' ' LEU . 63.6 mt -58.48 -19.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 13.2 tt0 -82.41 -35.8 27.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -11.64 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 -61.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.55 -8.61 52.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.3 32.59 68.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.425 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 12.3 mt -121.97 120.23 28.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 111.263 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 32.2 Cg_exo -58.17 153.26 47.07 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 112.101 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 52.2 Cg_exo -54.88 -43.21 61.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 m-20 -68.68 -22.65 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -89.8 9.41 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -142.51 144.75 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.0 111.011 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -126.03 122.66 36.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.789 HD13 HD23 ' A' ' 26' ' ' LEU . 1.7 mt -92.96 126.19 37.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mm -129.87 108.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -114.64 124.43 51.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.91 37.96 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.23 9.26 67.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 107.13 14.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -65.67 133.37 50.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 43' ' ' LEU . 5.3 mt -68.83 134.25 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.6 118.29 36.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -46.67 143.68 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.3 -15.58 62.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.578 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -92.48 167.26 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.507 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 70.6 p -105.72 153.13 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -61.16 -38.5 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 38.9 t -59.76 -23.7 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 69.7 m-20 -70.84 -32.47 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -98.66 33.18 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.9 p-10 41.94 62.0 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -91.22 111.63 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.05 -177.73 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 135.68 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 74.89 40.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -82.78 165.98 19.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 67' ' ' ILE . 50.0 m -126.64 118.26 24.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 mp -113.57 127.47 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.08 112.68 24.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 30' ' ' ILE . 8.3 tt -95.09 116.17 28.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.15 143.07 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.3 tm? -72.2 64.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER 40.74 96.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 70' ' ' VAL . 62.7 mt -85.39 -176.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.38 73.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.52 104.78 0.61 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.513 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.627 ' CE ' HD21 ' A' ' 3' ' ' LEU . 8.4 ttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -100.1 152.15 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.627 HD21 ' CE ' ' A' ' 1' ' ' MET . 2.6 mt -140.7 145.97 37.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 65' ' ' SER . 40.8 m-85 -114.58 128.51 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.57 115.56 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -99.8 153.24 19.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 19.9 p -109.75 -175.43 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 15.65 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -126.09 13.12 7.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 -11.16 56.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 126.41 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -125.2 130.09 51.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 14' ' ' THR . 2.2 pp -109.59 169.36 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 24.4 m -134.98 122.93 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.779 ' HB ' HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.91 153.81 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.0 mt-10 -128.83 107.22 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.838 ' N ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.77 168.68 22.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -91.36 149.9 40.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 79.6 Cg_exo -46.78 -22.42 1.9 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.238 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 p -67.58 -39.71 84.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.74 157.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.7 p -115.26 169.08 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.9 t -49.53 -29.66 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.736 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -45.52 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 16.3 m120 -62.24 -52.82 62.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.449 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 15' ' ' VAL . 23.0 tp -54.1 -47.32 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.4 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 27.0 mttm -63.79 -52.07 61.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 -44.76 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.52 -48.47 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.51 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.625 HD13 HD12 ' A' ' 69' ' ' LEU . 36.7 mt -59.8 -19.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.0 tt0 -89.59 -33.77 16.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.29 -11.69 40.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.8 mttp -104.86 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 mm-40 -89.98 -12.27 39.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 74.97 27.71 63.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.411 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 41' ' ' GLN . 56.8 mt -104.59 133.14 20.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 87.2 Cg_endo -81.18 147.87 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 45.3 Cg_exo -56.07 -21.19 33.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -24.54 55.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 38.0 mt-30 -113.97 3.97 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 36' ' ' ILE . 5.9 mt-30 -89.87 108.29 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.073 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 7.1 ttt180 -105.53 98.95 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 44.1 mt -89.94 118.48 29.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 43' ' ' LEU . 19.1 mm -123.37 102.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -103.32 110.44 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.23 40.57 27.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -9.46 57.12 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 120.21 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.37 112.46 21.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.9 mt -57.94 146.73 31.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -114.51 128.62 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 103.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.75 -13.52 3.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -94.74 160.44 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 32.8 p -95.2 163.89 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 3' ' ' LEU . 5.8 mt -66.12 -54.4 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 1.3 t -50.61 -37.55 40.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 83.2 m-20 -48.17 -29.7 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CE2' HD22 ' A' ' 50' ' ' LEU . 73.9 m-85 -93.05 26.34 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 38.81 33.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.17 160.9 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.09 178.05 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.87 133.07 55.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 46.95 84.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 69.3 m -104.85 172.37 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.9 m -122.32 107.71 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.7 mp -112.82 140.55 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.83 129.16 40.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 30' ' ' ILE . 7.7 tt -107.9 116.63 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.22 144.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 123.95 29.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 8.0 ttm180 -40.38 113.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 tp -38.63 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' ARG . 1.3 ttt180 -61.67 -39.23 90.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 -80.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.539 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 3' ' ' LEU . 4.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -97.8 101.18 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 1' ' ' MET . 23.4 mt -99.38 140.04 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.39 133.7 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.35 101.24 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 5.8 ptpt -98.86 174.93 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -133.81 -161.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 70' ' ' VAL . 11.1 mt -87.64 -19.52 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -89.97 -8.35 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -43.23 1.73 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.85 115.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 6' ' ' LYS . 52.0 m -123.68 125.38 44.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD22 ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -102.81 149.82 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 m -108.47 128.74 55.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 13' ' ' LEU . 3.4 m -132.21 158.55 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.7 117.74 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 1' ' ' MET . 4.8 mt -136.59 -174.69 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -129.36 152.03 78.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.83 -22.1 6.77 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.203 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.56 -39.5 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -41.51 151.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 55' ' ' THR . 66.9 p -113.82 170.58 8.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 43' ' ' LEU . 75.4 t -47.5 -43.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -53.71 -44.45 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 18.6 m120 -58.99 -54.45 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.571 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 43' ' ' LEU . 12.1 tp -50.04 -54.87 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.486 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 68.8 mttt -59.12 -42.89 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.403 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.75 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 1.7 mmmt -73.76 -44.65 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.68 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.819 HD12 ' OE1' ' A' ' 41' ' ' GLN . 15.0 mt -58.0 -30.3 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.0 tt0 -81.14 -26.41 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -7.73 52.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 15' ' ' VAL . 1.5 mttm -118.49 -52.82 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.996 ' OE1' HD22 ' A' ' 13' ' ' LEU . 1.8 mp0 -102.65 14.26 32.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.76 32.46 4.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -98.17 125.85 42.15 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.5 Cg_endo -79.82 142.62 15.97 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.794 2.33 . . . . 0.0 112.404 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 35.7 Cg_exo -59.7 -23.45 71.71 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -64.83 -21.92 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.5 mt-30 -125.98 21.07 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.819 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.2 mt-30 -94.85 123.58 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 1.4 tpp180 -112.87 94.39 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 26' ' ' LEU . 22.5 mt -89.83 115.92 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.88 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.056 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' CE2' HD23 ' A' ' 61' ' ' LEU . 10.5 t80 -126.88 126.77 43.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.52 42.26 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.25 32.04 75.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.87 109.51 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 44.5 tt0 -72.98 137.04 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.67 154.08 34.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -113.67 119.13 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.08 103.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.51 -12.79 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -103.28 168.4 9.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 22' ' ' THR . 45.8 p -96.81 164.96 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' A' ' 61' ' ' LEU . 5.8 mt -67.55 -38.93 84.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -45.63 77.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -47.82 -28.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 88.8 m-85 -98.11 19.83 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.8 p-10 45.65 45.89 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 56' ' ' LEU . 47.4 mt -77.67 117.35 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -98.29 173.74 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.2 tttm -68.59 119.6 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER 84.24 77.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -121.28 144.64 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -103.11 93.36 4.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.453 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.5 mp -94.97 141.35 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -95.88 117.74 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 43' ' ' LEU . 3.2 tp -104.28 115.36 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -103.79 154.92 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.42 111.16 23.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.64 102.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 1.3 mt -71.4 -14.68 62.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 1.4 mtt180 157.75 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.15 14.58 18.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.521 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -84.83 156.83 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -140.05 120.86 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -94.03 105.77 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.6 t -101.16 103.32 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.77 148.89 24.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -115.5 -167.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.17 2.13 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -100.39 -4.67 28.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 -16.26 53.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 2.6 tttm -64.52 136.05 56.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -113.6 122.15 46.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.85 HD11 ' OE1' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -98.64 130.34 45.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 2' ' ' GLN . 55.0 m -109.32 103.19 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.66 150.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 107.49 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 56' ' ' LEU . 1.3 tp -139.69 144.48 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.8 mp0 -90.74 153.49 45.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' OG ' ' A' ' 57' ' ' SER . 51.0 Cg_exo -52.96 -36.83 77.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -57.65 -35.15 70.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.8 m-20 -54.22 153.04 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -108.1 162.47 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 66.7 t -50.1 -30.18 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.995 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -49.86 73.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -59.28 -53.27 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -47.41 -52.14 17.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HE2' HD12 ' A' ' 43' ' ' LEU . 17.1 mmtt -54.37 -53.8 49.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.66 -52.91 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.683 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -55.65 -43.99 76.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.739 HD12 ' OE1' ' A' ' 41' ' ' GLN . 56.8 mt -62.96 -19.12 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.932 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.8 tt0 -90.13 -22.98 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -8.88 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -118.7 -54.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.85 ' OE1' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.25 9.66 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 48.39 31.61 9.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.533 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG13 ' CB ' ' A' ' 34' ' ' GLU . 2.9 mt -99.68 123.07 49.12 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.357 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 97.1 Cg_endo -80.91 149.6 17.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.746 2.297 . . . . 0.0 112.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 22.1 Cg_endo -61.6 -22.14 73.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.232 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.32 -25.64 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -115.89 6.59 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.739 ' OE1' HD12 ' A' ' 30' ' ' ILE . 10.6 mt-30 -93.66 123.99 37.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -119.61 91.61 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.629 HD12 ' HE2' ' A' ' 27' ' ' LYS . 10.4 mt -89.84 134.26 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -137.05 118.19 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -105.35 118.14 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.77 45.24 27.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.03 20.7 74.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 97.07 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.89 130.91 47.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD22 ' CD2' ' A' ' 59' ' ' TYR . 17.5 mt -78.17 157.82 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 9.9 t70 -47.41 146.9 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.41 -19.44 50.33 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.96 153.44 20.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.444 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 55.3 p -90.59 131.91 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 17' ' ' LEU . 54.3 mt -46.24 -29.77 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.813 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -69.93 -19.62 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 19.7 m-20 -71.2 -18.87 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.52 ' CD2' HD22 ' A' ' 50' ' ' LEU . 58.9 m-85 -101.38 31.09 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' TYR . 1.4 p-10 37.0 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 1.1 mt -64.11 133.3 52.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -98.14 -173.46 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 142.49 46.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 45.33 53.29 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -76.62 161.3 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -108.01 110.0 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.12 142.35 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.76 108.2 20.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.46 117.23 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -121.63 150.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 160.77 17.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.755 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -103.77 130.74 51.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -104.92 167.13 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 128.21 23.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.37 -111.99 3.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.3 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.32 134.98 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 1' ' ' MET . 11.2 mt -134.7 140.19 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.84 115.51 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.16 107.3 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 12.3 ptmm? -92.95 143.4 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -103.32 -170.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.1 -3.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.4 p -103.56 25.24 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.97 44.87 72.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 1.7 ttpt -120.04 124.23 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.789 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.05 117.54 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 15' ' ' VAL . 1.9 tp -106.34 129.65 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.6 m -108.61 112.64 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 13' ' ' LEU . 2.6 m -122.41 148.39 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 125.58 51.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.911 HD23 ' OD2' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.17 -169.44 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 0.3 OUTLIER -132.76 147.31 65.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 58.1 Cg_exo -51.38 -18.13 5.06 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.299 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -74.46 -28.07 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.911 ' OD2' HD23 ' A' ' 17' ' ' LEU . 46.1 m-20 -68.83 151.86 46.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 25.2 p -108.6 159.91 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 78.1 t -41.22 -47.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.59 -57.54 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.79 -54.08 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.549 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 17' ' ' LEU . 22.9 tp -49.74 -37.02 27.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 26.8 mttt -66.81 -49.23 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.432 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.02 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -69.98 -44.87 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 HD12 ' OE1' ' A' ' 41' ' ' GLN . 4.5 mt -63.27 -18.42 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.985 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.0 tt0 -83.65 -40.25 19.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 6.38 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE3' HG12 ' A' ' 15' ' ' VAL . 21.8 mttm -120.57 -67.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 42.54 95.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.498 ' HB ' HG22 ' A' ' 30' ' ' ILE . 61.2 mt -112.36 119.47 43.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_exo -60.54 136.22 65.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.82 2.347 . . . . 0.0 112.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -58.8 -28.54 87.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.258 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -17.22 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.026 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 24.1 mt-30 -119.07 21.11 12.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.559 ' OE1' HD12 ' A' ' 30' ' ' ILE . 37.3 mt-30 -100.34 100.2 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 ttm-85 -98.93 99.82 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.812 HD13 HD12 ' A' ' 50' ' ' LEU . 45.5 mt -89.71 123.34 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 44' ' ' ILE . 11.7 mt -121.85 74.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 15.1 t80 -75.04 116.52 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 40.48 30.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.94 -10.0 49.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -92.05 120.53 32.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -80.34 105.46 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 43' ' ' LEU . 21.0 mt -50.2 151.37 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -127.23 116.89 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 10.3 t70 -43.86 138.94 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.24 9.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.556 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 158.14 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 3.9 p -94.44 160.58 14.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 19.4 mt -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.9 -38.83 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.882 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 16.7 m-20 -50.78 -35.53 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ASN . 96.4 m-85 -92.91 34.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' TYR . 12.8 p30 36.5 45.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -80.99 122.09 26.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' LYS . 1.1 mt-30 -102.89 137.67 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -38.33 124.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mm-40 84.14 72.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -134.08 151.94 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -96.93 147.1 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -140.73 129.97 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -92.98 103.69 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 43' ' ' LEU . 65.4 tp -91.16 105.66 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -103.09 152.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.88 151.45 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.83 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -72.58 75.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' ARG . 12.5 mt 36.16 42.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 74' ' ' ARG . 11.7 ttt-85 45.8 92.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.99 -166.18 36.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.501 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.6 tmm? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.38 154.44 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' A' ' 1' ' ' MET . 39.7 mt -135.88 129.55 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.3 m-30 -96.9 108.44 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -103.88 101.91 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.7 147.76 22.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 p -105.91 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 70' ' ' VAL . 4.0 mm? -77.65 -12.51 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -90.74 -13.16 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.12 -52.19 0.65 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -38.98 130.89 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -113.64 133.91 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.8 mt -96.14 160.03 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -133.46 105.52 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.84 147.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 113.95 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -135.3 -178.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.031 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mm-40 -122.87 160.62 48.4 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.628 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 38.1 Cg_endo -66.55 -5.51 13.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.558 2.172 . . . . 0.0 112.22 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -89.26 -23.8 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.817 ' CG ' HD23 ' A' ' 17' ' ' LEU . 28.9 m-20 -67.64 170.06 8.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.788 0.327 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 55' ' ' THR . 2.2 p -125.21 166.19 16.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 66.8 t -45.99 -47.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -51.8 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -57.1 -54.97 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.1 tp -48.91 -55.09 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 16.7 mttt -55.65 -52.51 63.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.5 -43.55 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' HD11 ' A' ' 17' ' ' LEU . 10.4 mttt -66.72 -45.89 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.9 HD12 ' OE1' ' A' ' 41' ' ' GLN . 20.1 mt -56.38 -30.56 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.7 tt0 -75.63 -35.16 60.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.24 -6.25 56.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.71 -58.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' A' ' 36' ' ' ILE . 3.1 mm-40 -112.65 30.92 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 41.32 33.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.795 ' HB ' HG22 ' A' ' 30' ' ' ILE . 4.5 mt -98.43 109.23 51.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.218 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 16.7 Cg_exo -67.88 140.69 51.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.965 2.443 . . . . 0.0 112.269 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 39.1 Cg_exo -57.11 -29.38 83.0 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.719 2.279 . . . . 0.0 112.195 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -32.72 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -109.5 25.12 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.9 ' OE1' HD12 ' A' ' 30' ' ' ILE . 27.5 mt-30 -104.32 125.31 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 70' ' ' VAL . 29.5 mtt180 -130.39 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 50' ' ' LEU . 7.1 mt -89.7 112.43 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 49' ' ' GLN . 19.6 mm -101.88 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.12 115.27 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.63 22.88 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 44' ' ' ILE . . . 96.63 -6.04 64.84 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.654 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 135.09 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.536 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.2 tt0 -86.06 119.01 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.803 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 43' ' ' LEU . 15.5 mt -63.96 136.85 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -103.42 122.82 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.17 106.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.72 -8.9 4.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -100.91 150.16 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 22' ' ' THR . 47.1 p -91.16 145.92 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.9 mt -45.37 -40.67 8.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -62.55 -38.87 91.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 66.1 m-20 -54.84 -31.48 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 50' ' ' LEU . 27.2 m-85 -95.06 23.23 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p30 39.33 57.55 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -89.25 132.02 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -97.22 175.18 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 51.19 54.29 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 61' ' ' LEU . 51.7 m -77.58 163.85 25.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -113.1 111.41 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.42 144.49 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.59 129.07 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 HD13 ' A' ' 30' ' ' ILE . 7.4 tt -102.43 118.22 36.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -118.64 150.55 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.951 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 141.08 29.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -43.43 104.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -87.3 90.64 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.809 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 141.28 48.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.84 -47.45 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.507 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.832 0.349 . . . . 0.0 111.234 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -72.35 138.98 47.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 17' ' ' LEU . 28.2 mt -138.93 136.3 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -95.04 134.43 37.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.62 103.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 15.2 ptmt -93.3 151.51 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -115.99 -172.45 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -88.88 19.82 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -118.15 -0.44 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 -6.8 82.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -83.05 138.45 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.935 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -119.17 120.05 35.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -97.08 171.54 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.3 m -144.85 109.0 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.88 155.56 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 18.9 mp0 -96.99 106.16 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD23 HD11 ' A' ' 56' ' ' LEU . 1.2 tp -136.11 143.51 44.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -96.39 163.65 20.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 36.4 Cg_endo -65.53 -16.52 54.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.2 p -85.21 -18.32 34.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 169.97 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -122.47 160.31 25.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 94.6 t -50.72 -35.25 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -44.3 89.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.2 m120 -64.01 -47.13 81.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 tp -50.72 -57.14 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' GLN . 14.1 mttt -58.94 -35.39 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.628 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -57.69 -38.17 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -72.26 -42.06 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.016 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -62.88 -25.86 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 1.3 tt0 -86.36 -26.27 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -28.12 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -49.09 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' A' ' 11' ' ' LYS . 1.8 tt0 -94.11 -46.6 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 104.32 27.79 6.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 14.5 mm -99.92 130.88 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_exo -64.93 148.0 89.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 22.7 Cg_exo -63.97 -43.9 14.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.828 2.352 . . . . 0.0 112.256 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -64.44 -13.4 51.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -111.31 20.21 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 1.016 ' OE1' HD12 ' A' ' 30' ' ' ILE . 36.5 mt-30 -115.31 95.98 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -96.12 94.49 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.68 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.734 HD21 HD12 ' A' ' 69' ' ' LEU . 78.7 mt -89.61 125.63 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -117.64 78.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 68.6 t80 -79.88 118.81 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.55 46.77 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.97 33.49 84.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -132.89 111.14 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.726 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.67 101.79 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 43' ' ' LEU . 22.5 mt -50.43 121.72 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.19 116.38 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -45.4 124.22 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.47 -24.52 6.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.531 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.45 162.27 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -95.65 155.36 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD11 HD23 ' A' ' 17' ' ' LEU . 15.5 mt -64.57 -27.73 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 2.2 t -65.77 -30.0 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CB ' HD23 ' A' ' 61' ' ' LEU . 39.4 m-85 -103.53 29.28 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.84 32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -60.28 130.02 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -102.61 -171.78 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CD ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -89.34 130.1 35.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' OE2' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mt-10 69.31 27.96 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -64.57 158.14 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -111.65 102.16 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.3 134.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.09 114.99 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HD21 ' A' ' 43' ' ' LEU . 10.1 tt -103.96 124.07 48.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.776 HG23 ' HB2' ' A' ' 42' ' ' ARG . 26.7 m -114.54 135.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -86.86 62.66 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 33.58 64.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 101.13 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -139.57 144.97 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 89.36 1.01 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.483 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.798 0.332 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -84.04 123.56 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.01 156.98 19.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -122.71 101.34 7.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.77 127.27 42.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.3 ptmm? -115.34 127.41 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.515 HG22 HD12 ' A' ' 69' ' ' LEU . 65.7 p -89.89 -175.42 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -83.53 -3.47 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -90.88 17.01 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.05 17.66 68.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.605 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.26 142.74 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -127.65 113.79 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CD1' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -100.27 152.58 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.5 m -100.77 142.47 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.43 170.84 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.025 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -127.81 123.08 34.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD23 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -149.82 143.95 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -99.04 154.39 37.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.97 -27.41 16.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.823 2.348 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -72.16 -34.54 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-20 -50.12 158.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 55' ' ' THR . 60.3 p -119.58 155.56 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 40.8 t -42.46 -34.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -57.84 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.68 -49.61 56.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.19 -47.08 46.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.396 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -57.21 -43.69 83.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.68 -41.34 66.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.666 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -64.55 -41.37 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.89 HD12 ' OE1' ' A' ' 41' ' ' GLN . 81.1 mt -69.44 -17.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 19.0 tt0 -90.18 -26.17 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -32.33 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -51.02 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -99.05 -46.27 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 95.6 36.06 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.416 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 mt -94.8 127.6 42.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -58.29 135.27 66.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.82 2.347 . . . . 0.0 112.218 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.7 Cg_exo -53.85 -39.01 85.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -33.83 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -92.37 9.38 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.89 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.9 mt-30 -95.74 92.74 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 ttt180 -96.25 94.07 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 80.2 mt -89.7 129.81 36.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.61 94.75 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -102.44 126.97 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.78 33.61 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.55 47.21 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 122.61 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.41 104.38 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -43.96 121.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.08 117.71 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.6 115.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 123.03 -7.07 9.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.67 148.45 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 16.5 p -91.13 139.8 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 17' ' ' LEU . 7.3 mt -46.23 -36.4 6.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -16.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 92.0 m-20 -76.98 -20.73 55.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CE2' HD22 ' A' ' 50' ' ' LEU . 54.7 m-85 -109.5 28.43 8.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.22 54.75 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.5 mt -82.92 119.86 24.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 44.0 mt-30 -107.12 163.35 13.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.7 136.96 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.73 89.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -128.56 155.17 45.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.87 119.3 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.23 133.2 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -95.46 108.09 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.821 HD22 ' N ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -93.99 129.08 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.821 ' N ' HD22 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -122.35 135.5 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -79.01 134.65 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -64.63 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' LEU . 8.7 mt 68.13 91.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -38.24 131.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.64 146.78 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.535 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.5 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.2 mt-30 -95.99 143.51 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 17' ' ' LEU . 2.5 mt -133.58 152.89 51.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.29 145.22 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 12' ' ' THR . 35.8 t -135.02 112.02 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 4.4 ptmt -105.12 166.99 10.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -121.87 -172.96 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt -70.16 -22.09 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -90.66 -29.46 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.17 4.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -41.79 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -111.63 142.59 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -110.06 153.38 24.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -144.51 152.55 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.92 100.95 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 3' ' ' LEU . 38.5 mt -133.21 157.29 45.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.2 mm-40 -108.38 157.73 35.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.1 Cg_endo -60.12 -16.33 39.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.207 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 p -81.81 -23.49 36.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 55' ' ' THR . 87.7 m-20 -60.77 173.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -129.72 163.4 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.0 t -48.57 -29.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -48.85 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.23 -49.44 77.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.3 tp -59.93 -53.51 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 15.8 mttt -49.91 -48.2 51.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.1 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -56.1 -36.31 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.565 HD12 ' OE1' ' A' ' 41' ' ' GLN . 21.9 mt -75.89 -20.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -88.83 -22.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -27.33 19.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.229 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -100.56 -52.13 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB2' HG12 ' A' ' 36' ' ' ILE . 1.8 mm-40 -89.81 -7.32 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 64.03 25.89 69.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.562 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 34' ' ' GLU . 3.8 mm -97.39 131.64 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 98.7 Cg_endo -80.28 142.8 15.26 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 19.2 Cg_endo -59.0 -22.56 64.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.835 2.356 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.58 -36.44 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.53 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.6 mt-30 -102.35 3.14 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.565 ' OE1' HD12 ' A' ' 30' ' ' ILE . 8.6 mt-30 -91.71 130.32 37.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -129.21 101.33 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.68 118.95 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 42' ' ' ARG . 39.6 mm -106.44 121.52 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 6.5 t80 -129.92 109.41 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.49 59.99 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.65 18.56 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.647 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 14.0 mttp -126.64 129.16 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG2' HD13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -86.65 126.46 34.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.44 130.26 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' HG21 ' A' ' 23' ' ' VAL . 18.6 mm-40 -96.23 131.94 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.59 93.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.61 -15.13 1.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -92.0 158.87 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 47.4 p -95.59 142.62 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 61' ' ' LEU . 9.9 mt -46.75 -38.49 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -32.54 71.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' THR . 73.7 m-20 -60.87 -21.49 63.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -104.07 25.0 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 44.38 39.58 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 10.2 mt -70.96 156.55 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -143.91 149.1 36.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 134.4 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.45 81.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -124.95 163.0 23.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -120.41 93.67 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.38 136.42 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.509 ' NE2' ' HD3' ' A' ' 6' ' ' LYS . 11.2 m170 -96.41 137.14 35.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.0 tt -107.9 123.04 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -117.89 147.61 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.866 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.35 156.84 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.53 ' CB ' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -118.0 65.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 86.83 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 62.76 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.3 -138.95 13.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.428 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.39 138.23 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 mt -123.4 145.14 49.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 m-85 -108.54 105.29 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 t -94.12 134.61 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -121.05 172.85 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.472 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 63.6 p -123.11 172.66 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -15.87 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -91.18 -54.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.34 -39.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.562 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 124.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -123.68 117.67 25.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 168.17 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.4 m -129.67 142.32 50.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 m -137.4 149.41 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -98.72 111.97 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 56' ' ' LEU . 1.6 tp -138.41 174.96 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 mm-40 -118.48 157.18 50.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 57' ' ' SER . 35.8 Cg_endo -64.86 -17.7 60.2 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.284 . . . . 0.0 112.193 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -85.97 -21.8 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.8 m-20 -59.88 179.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 55' ' ' THR . 4.7 p -135.07 166.93 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.691 HG12 ' HG3' ' A' ' 27' ' ' LYS . 55.8 t -46.59 -45.92 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -44.02 -51.05 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.75 -54.18 45.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.02 -53.73 30.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HG3' HG12 ' A' ' 23' ' ' VAL . 15.6 mttt -57.93 -42.39 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.3 53.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -67.01 -46.96 72.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.689 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.705 HD13 HD22 ' A' ' 69' ' ' LEU . 8.0 mt -61.8 -18.38 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.7 tt0 -89.9 -25.65 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -42.76 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -54.34 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.87 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 127.04 30.26 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.579 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CG2' ' A' ' 30' ' ' ILE . 5.9 mt -100.22 131.97 23.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 95.4 Cg_endo -81.33 145.83 15.26 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.739 2.293 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.3 Cg_exo -59.04 -26.71 82.68 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.772 2.314 . . . . 0.0 112.306 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 1.2 p-10 -72.89 -9.03 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.65 6.17 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' OE1' HD12 ' A' ' 30' ' ' ILE . 9.6 mt-30 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -126.75 102.57 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.863 HD13 HD12 ' A' ' 50' ' ' LEU . 26.4 mt -89.99 109.33 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' ILE . 50.7 mm -111.85 76.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -69.62 94.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.79 22.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.92 -5.13 24.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -94.12 108.88 20.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -82.62 111.14 18.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 43' ' ' LEU . 46.6 mt -74.58 125.91 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.96 140.19 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 135.02 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.76 -19.8 40.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.85 144.33 26.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' THR . 61.5 p -90.58 143.3 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 17' ' ' LEU . 20.1 mt -42.7 -45.94 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -54.69 -44.6 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 55' ' ' THR . 94.0 m-20 -45.37 -37.98 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 50' ' ' LEU . 64.5 m-85 -90.65 23.78 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' SER . 4.1 p-10 38.83 69.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.88 165.4 12.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -130.83 170.38 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -66.4 124.22 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 69.4 71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -103.12 158.94 15.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.7 m -111.78 96.62 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 43' ' ' LEU . 3.7 mt -96.53 132.31 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -91.18 99.58 12.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 30' ' ' ILE . 15.1 tp -87.0 114.32 23.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 42' ' ' ARG . 27.3 m -118.44 150.19 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 71' ' ' LEU . 3.2 mm? -78.69 150.04 32.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -101.77 158.12 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 3.0 mp -113.53 -28.29 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 2.9 ptp180 159.38 -32.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.88 178.89 34.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.516 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' HD11 ' A' ' 3' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.634 ' OE1' HG22 ' A' ' 14' ' ' THR . 7.1 tp-100 -69.79 121.32 17.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD11 ' SD ' ' A' ' 1' ' ' MET . 13.2 mt -128.09 153.93 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -109.71 143.1 39.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.69 118.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 68' ' ' HIS . 14.3 ptmm? -95.06 136.31 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -94.39 -160.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp -82.0 -17.55 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -95.85 4.88 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.05 -28.58 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -38.2 131.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.54 111.94 24.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 15' ' ' VAL . 1.5 tp -93.35 141.01 28.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.634 HG22 ' OE1' ' A' ' 2' ' ' GLN . 6.0 m -119.03 99.54 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 13' ' ' LEU . 17.1 m -112.81 158.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -123.79 126.46 46.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 1' ' ' MET . 8.9 mt -140.77 -174.23 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.28 154.54 48.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.18 -18.64 64.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.796 2.331 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 p -82.04 -23.33 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -57.37 174.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 55' ' ' THR . 70.7 p -130.54 165.89 21.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.51 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 99.6 t -44.46 -43.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' HG3' ' OD1' ' A' ' 52' ' ' ASP . 2.1 mt-10 -52.16 -52.23 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.656 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 12.5 m120 -53.16 -51.19 62.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -53.83 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.599 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 41.0 mttt -50.59 -44.4 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -45.42 -53.2 9.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.759 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 1.8 mttp -60.75 -39.46 88.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.899 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.2 mt -56.68 -29.74 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -85.59 -21.13 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -14.5 33.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.31 -58.0 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.92 -6.31 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 57.58 32.61 65.2 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.572 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HB ' HG22 ' A' ' 30' ' ' ILE . 51.9 mt -96.5 123.19 55.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.708 0.29 . . . . 0.0 111.046 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.4 Cg_exo -62.06 138.2 71.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.8 2.333 . . . . 0.0 112.206 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 -25.83 51.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.01 -22.24 65.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.529 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.15 14.97 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.741 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.899 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.7 mt-30 -90.71 117.0 29.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' CB ' HG23 ' A' ' 70' ' ' VAL . 3.5 mtt85 -116.14 104.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.756 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HD12 ' A' ' 50' ' ' LEU . 69.6 mt -89.84 115.9 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 21.3 mm -114.68 89.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 12.4 t80 -101.81 104.68 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.16 38.35 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 0.9 87.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 10.0 mttt -98.43 144.96 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -106.24 104.48 14.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.916 HD12 HD13 ' A' ' 43' ' ' LEU . 5.3 mt -54.73 120.22 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -93.57 127.0 39.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.5 t70 -56.28 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.74 -21.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -91.0 160.14 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 22' ' ' THR . 82.3 p -94.72 144.24 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.9 mt -40.56 -43.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -62.93 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -50.59 -34.62 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 30.3 m-85 -96.21 25.98 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 41.19 78.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.5 mt -105.7 110.04 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -90.02 178.82 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -78.21 143.34 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.01 49.66 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -99.64 148.11 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -110.81 113.39 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.65 140.78 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -91.94 121.26 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.596 HD22 HD13 ' A' ' 30' ' ' ILE . 11.6 tp -114.28 115.67 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 ' CB ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -115.03 142.45 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 40' ' ' GLN . 10.3 tp -84.85 125.88 32.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.49 125.2 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -48.61 176.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 1.7 mtm105 -56.09 -84.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 42.51 79.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.546 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.57 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' CB ' ' HD2' ' A' ' 63' ' ' LYS . 14.6 ptt? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.25 142.73 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 17' ' ' LEU . 65.5 mt -130.63 142.22 50.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.85 136.49 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.33 121.08 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 5.8 ptpt -106.93 153.05 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -105.28 -174.62 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.737 HD21 HG13 ' A' ' 70' ' ' VAL . 5.1 mt -78.13 -1.27 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -113.66 -8.94 13.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.17 -7.62 44.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.574 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 97.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -91.87 149.05 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD12 ' OE2' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -131.54 162.48 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -126.22 110.15 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.05 173.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -125.47 121.86 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 3' ' ' LEU . 5.5 mt -148.93 178.75 8.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 mm-40 -113.92 156.85 43.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.6 Cg_endo -64.66 -21.03 65.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.763 2.309 . . . . 0.0 112.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 p -85.55 -17.83 35.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -53.73 163.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -109.25 156.93 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 27' ' ' LYS . 16.2 t -51.14 -34.5 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -44.12 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.56 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -58.7 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.438 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -57.3 -54.61 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.598 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD11 ' A' ' 43' ' ' LEU . 2.7 mttm -54.12 -42.87 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.457 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 mmtm -60.86 -44.06 97.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.376 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.767 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.7 mt -68.0 -17.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -88.32 -24.71 23.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -13.49 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -112.87 -55.1 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' OE1' HD11 ' A' ' 36' ' ' ILE . 22.1 mt-10 -91.43 -3.71 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 62.19 24.1 64.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.392 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.52 HD12 ' CG2' ' A' ' 30' ' ' ILE . 4.0 mt -94.57 124.94 53.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.3 Cg_endo -78.75 141.38 17.13 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.689 2.259 . . . . 0.0 112.6 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.59 -20.76 43.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.81 2.34 . . . . 0.0 112.047 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -72.11 -32.94 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.96 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -105.48 1.48 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.767 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.5 mt-30 -90.18 133.92 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.8 ttt-85 -128.84 96.53 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD11 ' HG3' ' A' ' 27' ' ' LYS . 3.8 mt -89.8 138.73 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.042 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 43' ' ' LEU . 9.1 mt -137.94 127.85 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 6.2 t80 -116.71 111.99 20.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.09 45.83 15.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.5 25.44 67.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.57 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.74 94.14 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 119.93 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.5 mt -71.4 152.18 43.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 16.5 mt-10 -125.89 122.6 36.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -49.78 111.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.42 -17.16 4.79 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -92.64 166.31 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.8 p -106.47 141.3 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.9 mt -45.09 -38.34 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 76.4 m-20 -58.55 -21.55 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 61' ' ' LEU . 62.6 m-85 -102.89 25.17 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER 37.06 53.67 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.84 169.14 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.08 -170.26 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.15 132.37 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 58.41 73.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 32.5 m -103.26 159.79 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.0 m -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.4 mt -105.2 135.15 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 11.6 m170 -90.34 122.43 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.0 tt -100.15 108.5 20.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG13 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.7 151.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.849 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 142.7 49.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 2.2 mmt180 -40.07 138.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.729 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -51.97 -175.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 121.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.35 85.65 0.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.432 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.298 -1.279 . . . . 0.0 112.488 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HE1' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.756 0.312 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 135.4 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.75 142.19 51.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 64' ' ' GLU . 1.2 m-85 -105.25 111.62 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.06 120.63 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 9.6 ptmt -107.74 165.14 11.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -119.73 -179.11 3.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.07 -9.16 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 -23.15 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 14.45 11.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 128.53 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 0.0 110.775 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -114.56 132.62 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.5 pp -127.51 140.14 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 m -95.64 122.23 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -121.81 147.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.28 116.06 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 mt -141.07 -178.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.6 mm-40 -127.3 151.83 75.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG3' ' HE1' ' A' ' 1' ' ' MET . 32.5 Cg_exo -58.16 -17.43 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.801 2.334 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.6 p -88.17 0.15 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' THR . 1.3 m-20 -74.05 158.31 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 60.6 p -112.01 160.74 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 95.7 t -48.89 -47.26 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.41 -41.23 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -61.99 -60.64 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 7.9 tp -48.69 -43.25 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 110.348 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 1.7 mmtt -57.21 -44.74 83.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.306 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.77 -41.83 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -60.53 -43.45 97.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 69' ' ' LEU . 14.2 mt -70.86 -19.27 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 10.5 tt0 -89.05 -27.44 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -9.91 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 15' ' ' VAL . 8.7 mtmm -119.24 -56.34 2.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.93 -1.15 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.53 34.71 35.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.602 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mt -107.45 120.65 46.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.3 Cg_exo -60.94 153.48 63.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.812 2.342 . . . . 0.0 112.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.9 Cg_exo -60.33 -42.77 39.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.849 2.366 . . . . 0.0 112.336 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.0 -20.3 57.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -107.94 22.43 15.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.74 ' OE1' HD12 ' A' ' 30' ' ' ILE . 44.4 mt-30 -110.67 133.72 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.3 ttt85 -140.33 86.31 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.635 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' ILE . 12.8 mt -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.516 HD12 ' HG3' ' A' ' 49' ' ' GLN . 8.8 mm -121.54 78.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 45.3 t80 -54.56 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 52.69 38.65 26.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 100.76 5.48 53.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.575 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 7.8 mttm -108.53 105.42 15.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -73.23 104.35 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.9 mt -50.36 126.96 16.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 22.9 mm-40 -101.41 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -39.82 146.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.027 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 -13.43 59.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 51' ' ' GLU . 7.0 mmt180 -95.1 157.3 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.5 p -94.3 157.66 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -59.56 -33.52 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.43 -7.96 50.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HD23 ' A' ' 61' ' ' LEU . 35.6 m-85 -119.01 27.22 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 49.76 29.42 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -50.19 133.19 23.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -172.28 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 3.6 ttpp -87.68 117.84 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . 6.1 mt-10 79.27 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -77.51 154.12 32.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -112.94 97.09 6.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 43' ' ' LEU . 9.2 mt -98.27 144.95 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -101.82 113.73 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 30' ' ' ILE . 5.3 tp -93.07 116.89 29.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -125.7 149.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.1 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.33 156.34 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.28 147.79 28.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.7 mt -83.45 147.39 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttt-85 -111.32 14.3 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.89 -157.52 25.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.423 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.567 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.86 160.09 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -147.82 150.44 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -116.87 138.29 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -130.48 118.03 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 147.48 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -104.25 -158.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 70' ' ' VAL . 7.7 mt -89.69 33.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 -44.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.87 -37.74 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HD3' ' OE2' ' A' ' 34' ' ' GLU . 27.6 ttmt -42.73 106.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.1 139.86 30.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.3 125.82 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.45 108.38 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.18 158.67 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.19 129.54 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 56' ' ' LEU . 1.8 tp -147.29 -170.66 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.35 153.58 76.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 23.8 Cg_endo -61.56 -20.85 70.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -81.31 -16.56 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' THR . 14.5 m-20 -69.92 166.12 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.4 p -120.5 167.73 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 51' ' ' GLU . 11.6 t -50.2 -46.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -44.46 16.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.93 -52.19 60.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 43' ' ' LEU . 20.0 tp -50.54 -52.16 41.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.8 mmtt -55.09 -52.05 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.08 -41.53 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 17' ' ' LEU . 6.5 mmtm -64.31 -46.16 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.968 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.0 mt -61.07 -26.12 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.484 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 59.5 tt0 -85.06 -15.59 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -34.41 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -99.35 -51.2 3.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 36' ' ' ILE . 4.3 mm-40 -93.71 3.53 55.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.276 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.1 37.32 5.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.45 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 34' ' ' GLU . 37.0 mt -104.36 121.82 46.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.9 Cg_exo -59.66 133.85 54.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.836 2.357 . . . . 0.0 112.231 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.8 Cg_exo -55.83 -31.0 79.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.254 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.53 -31.38 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.83 23.65 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' OE1' HD12 ' A' ' 30' ' ' ILE . 39.7 mt-30 -104.18 120.74 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 12.5 ttp180 -115.17 89.61 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 26' ' ' LEU . 1.8 mt -90.15 113.12 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.559 HG22 ' CA ' ' A' ' 47' ' ' GLY . 54.3 mt -117.14 78.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' A' ' 50' ' ' LEU . 14.3 t80 -61.99 110.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.86 37.65 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.559 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 85.16 4.55 86.51 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -103.06 120.56 40.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.0 120.51 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 45' ' ' PHE . 9.9 mt -75.03 131.43 40.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.572 ' O ' HG21 ' A' ' 23' ' ' VAL . 6.1 mt-10 -96.21 125.39 40.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 7.0 t70 -54.52 99.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.38 -10.89 3.8 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -91.32 146.99 23.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' ASP . 5.7 p -90.43 139.16 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.841 HD11 HD23 ' A' ' 17' ' ' LEU . 10.0 mt -41.85 -35.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -64.79 -34.1 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' THR . 17.6 m-20 -56.59 -27.97 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.622 ' HB2' HD23 ' A' ' 61' ' ' LEU . 68.2 m-85 -102.48 29.84 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 39.04 41.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -61.44 149.31 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.93 -179.26 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 122.26 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.82 82.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -111.68 137.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 m -97.53 100.22 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -104.93 149.08 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.34 128.3 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD12 HD23 ' A' ' 43' ' ' LEU . 1.9 tp -113.5 128.61 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -128.21 -162.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' H ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -126.63 146.32 50.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 13.8 ttp-105 -70.76 153.73 42.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -52.65 145.1 12.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -114.72 91.53 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.86 64.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.49 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 17.9 ptt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.912 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.7 mt-30 -91.15 158.78 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 2' ' ' GLN . 5.8 mt -143.42 136.42 27.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -104.27 128.93 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.5 108.29 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -99.01 139.97 33.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -96.44 -164.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -3.44 36.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 2.0 p -102.61 -59.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . 159.94 -38.06 0.46 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 124.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -108.35 115.35 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.98 134.61 34.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -107.21 123.76 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.95 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 4.3 mp0 -111.95 120.22 41.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB3' ' OD2' ' A' ' 21' ' ' ASP . 50.2 mt -148.52 176.63 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -113.92 158.69 38.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 30.3 Cg_endo -63.3 -18.23 63.81 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.623 2.215 . . . . 0.0 112.202 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.49 -15.82 57.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 17' ' ' LEU . 67.0 m-20 -67.97 162.53 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 55' ' ' THR . 13.2 p -117.13 161.02 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 76.5 t -47.94 -37.96 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.53 -46.4 66.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.409 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.22 -52.43 62.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.0 tp -50.55 -48.39 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.228 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 17.3 mmtt -57.71 -47.51 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.35 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.48 23.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.16 -48.3 80.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.439 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.971 HD12 ' OE1' ' A' ' 41' ' ' GLN . 7.7 mt -58.29 -23.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 44.4 tt0 -90.52 -22.82 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.686 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -5.0 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -120.73 -62.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -90.17 -15.31 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 69.08 38.19 83.37 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.0 mt -102.21 130.88 23.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.3 Cg_exo -60.92 149.22 89.72 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.587 2.191 . . . . 0.0 112.041 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 38.9 Cg_exo -59.97 -36.56 89.56 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.928 2.419 . . . . 0.0 112.614 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.22 0.64 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.335 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -116.35 6.36 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.971 ' OE1' HD12 ' A' ' 30' ' ' ILE . 29.0 mt-30 -107.05 92.2 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.255 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.5 ttm180 -96.11 92.04 6.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.333 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 50' ' ' LEU . 5.7 mt -89.6 121.06 31.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 47' ' ' GLY . 19.4 mm -111.39 71.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.961 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.445 ' CE2' ' OD1' ' A' ' 60' ' ' ASN . 41.8 t80 -52.1 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.32 25.85 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 113.42 -1.53 25.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.73 119.81 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -87.45 96.88 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 43' ' ' LEU . 17.3 mt -55.56 118.14 4.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.3 mt-10 -109.55 110.14 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -34.9 132.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.1 -32.46 5.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.22 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -89.95 148.38 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.76 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 22' ' ' THR . 30.6 p -92.41 154.33 18.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.98 -39.54 59.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -70.37 -17.42 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 77.4 m-20 -81.7 -10.3 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 34.2 m-85 -107.24 -86.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.77 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 42.5 p-10 173.03 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -79.25 114.37 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.37 175.98 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 1.0 OUTLIER -64.63 116.45 6.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 32.8 mt-10 64.79 81.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -121.03 164.0 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -103.68 135.85 44.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.796 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.534 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 8.2 mt -129.43 142.27 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.89 100.31 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.785 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.3 tt -82.86 97.84 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.7 t -97.76 158.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.874 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' ARG . 2.5 mm? -107.5 75.39 1.01 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' LEU . 7.9 ttt-85 35.3 86.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HG ' HG11 ' A' ' 70' ' ' VAL . 86.1 mt -62.6 177.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.44 -35.9 22.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.0 -169.61 12.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.588 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.439 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ttp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -78.75 155.82 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.8 mt -139.52 143.17 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -111.6 113.72 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' THR . 22.3 t -104.32 120.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.83 145.06 29.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' LYS . 33.0 p -110.0 167.35 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 70' ' ' VAL . 9.7 mp -58.81 -20.37 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -95.56 -1.18 51.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.92 -34.74 4.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 7' ' ' THR . 25.0 tptt -42.18 100.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.3 m -101.01 120.73 40.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -110.19 148.94 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 17.6 m -119.5 147.17 44.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.77 175.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.5 121.9 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.035 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 29' ' ' LYS . 9.1 tp -150.19 160.68 43.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -99.24 156.27 35.62 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.7 Cg_endo -64.25 -20.92 67.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.821 2.347 . . . . 0.0 112.289 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -73.74 -15.99 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' OD1' ' HG ' ' A' ' 17' ' ' LEU . 2.4 m-20 -66.07 160.56 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -110.87 162.85 14.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 99.0 t -48.17 -48.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -43.53 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.41 -56.44 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.1 tp -50.02 -55.47 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' NZ ' HD12 ' A' ' 43' ' ' LEU . 39.3 mttp -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.471 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HE3' HD13 ' A' ' 17' ' ' LEU . 4.5 mmtt -62.56 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.757 HD12 ' OE1' ' A' ' 41' ' ' GLN . 62.3 mt -61.9 -19.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.9 tt0 -82.61 -30.45 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -3.6 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -115.37 -59.3 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.068 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 10.7 mm-40 -99.95 12.14 37.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.1 38.09 38.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.755 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.601 HG22 ' HG3' ' A' ' 41' ' ' GLN . 3.1 mt -106.45 124.8 34.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 90.8 Cg_endo -80.91 150.12 18.14 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.892 2.395 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.2 Cg_exo -59.83 -31.09 93.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.833 2.355 . . . . 0.0 112.185 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 5.0 p-10 -67.52 -26.42 66.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.0 mt-30 -108.94 7.54 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.757 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.5 mt-30 -100.25 127.11 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 70' ' ' VAL . 52.7 mtp85 -131.84 92.64 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.596 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 27' ' ' LYS . 8.2 mt -89.33 134.17 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 70' ' ' VAL . 1.8 mt -128.91 109.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -113.25 127.92 56.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.54 29.74 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.213 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 21.38 68.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.73 110.33 16.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 104.01 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 11.0 mt -52.23 122.98 9.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -97.9 118.15 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -49.37 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.64 -18.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.33 160.61 14.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 p -90.05 159.56 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.4 mt -59.06 -40.4 85.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -26.19 64.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' THR . 97.6 m-20 -67.3 -8.65 33.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 89.4 m-85 -117.65 27.14 9.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 p30 40.26 41.06 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.2 mt -67.04 161.87 23.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -147.44 166.22 27.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -43.08 141.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 41.63 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -105.28 156.72 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -116.67 95.05 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.09 144.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.37 103.01 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 41' ' ' GLN . 7.3 tp -79.76 118.68 21.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -110.66 152.53 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.89 127.28 52.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -86.65 135.33 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.67 -174.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -38.23 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.61 45.05 38.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 ttp . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.862 0.363 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -91.71 110.79 22.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -111.62 163.93 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CD1' HG23 ' A' ' 14' ' ' THR . 16.1 m-30 -119.15 160.77 21.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -149.03 96.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 14.3 ptmt -89.86 157.87 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -122.89 -167.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.02 4.12 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 14.9 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.23 11.22 70.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 3.8 tttp -87.02 122.75 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -104.63 114.88 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.06 160.81 14.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 4' ' ' PHE . 33.6 m -147.27 119.77 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.57 165.34 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.18 107.73 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD21 ' HG3' ' A' ' 29' ' ' LYS . 1.1 mt -129.48 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -114.38 150.78 44.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 16.5 Cg_endo -57.73 -21.28 47.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.811 2.341 . . . . 0.0 112.206 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.9 p -76.75 -15.6 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.6 m-20 -68.23 165.37 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -124.96 163.4 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG12 ' HD2' ' A' ' 27' ' ' LYS . 77.5 t -44.43 -49.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -48.39 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.719 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 29.7 m120 -56.99 -55.31 36.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 tp -45.75 -53.05 10.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.366 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' HG12 ' A' ' 23' ' ' VAL . 6.3 mttt -55.53 -44.65 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.256 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -50.13 -38.37 38.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.685 ' HG3' HD21 ' A' ' 17' ' ' LEU . 4.2 mmmt -66.48 -46.81 75.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.253 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.13 -20.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 44.8 tt0 -83.55 -30.41 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.591 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -9.67 46.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -105.54 -67.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 6.2 mm-40 -89.84 5.74 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 37.24 87.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 8.2 mt -112.85 137.61 21.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 78.6 Cg_endo -78.73 149.63 23.59 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.637 2.225 . . . . 0.0 111.885 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.1 Cg_exo -56.49 -33.16 91.78 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 2.295 . . . . 0.0 112.537 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.84 4.84 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.612 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.559 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 88.0 mt-30 -124.71 3.79 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.642 0.258 . . . . 0.0 111.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -119.41 128.94 54.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.361 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.615 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -117.21 122.12 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 26' ' ' LEU . 7.5 mt -112.96 130.43 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -126.36 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -80.18 121.84 26.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.84 29.85 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.87 -8.07 80.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -91.65 121.55 33.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 103.28 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 43' ' ' LEU . 14.9 mt -45.17 130.49 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -100.92 113.85 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 53.9 t0 -54.51 90.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.27 -24.18 0.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 166.79 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 59.9 p -92.17 170.98 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 61' ' ' LEU . 5.6 mt -68.28 -51.34 46.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.765 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -16.83 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' THR . 37.8 m-20 -70.21 -16.67 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ASN . 57.7 m-85 -111.42 36.54 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER 36.98 34.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 56' ' ' LEU . 3.7 mt -69.23 118.68 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -94.04 -175.4 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -71.42 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 66.75 73.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.2 m -104.75 146.36 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -98.45 107.19 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.9 mt -101.49 131.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.44 117.57 29.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -98.76 130.34 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -120.62 137.95 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -73.33 69.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.7 ttt180 36.3 88.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.6 86.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.08 -79.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.32 -8.02 63.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.315 -1.27 . . . . 0.0 112.472 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.31 147.85 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD22 HD12 ' A' ' 61' ' ' LEU . 16.4 mt -138.81 129.21 25.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 5.6 m-30 -92.65 139.6 30.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.6 144.1 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -130.45 153.53 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -117.16 -156.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.73 14.24 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -118.11 -8.74 10.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.49 80.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -81.67 126.67 32.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.3 129.24 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.8 158.83 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -132.61 114.18 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 m -122.84 157.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.7 108.06 17.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -138.54 147.08 42.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.1 mm-40 -92.06 156.96 41.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.4 Cg_endo -63.11 -13.79 37.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.051 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 p -85.48 -29.34 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 13.0 m-20 -56.9 158.16 5.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.778 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.4 p -109.45 159.63 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 98.2 t -44.88 -47.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.4 -49.25 18.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.2 m120 -58.05 -49.81 75.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 8.6 tp -49.61 -50.15 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -54.48 -42.87 71.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.261 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -53.66 -43.12 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -39.79 91.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.184 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.876 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.8 mt -66.39 -22.83 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.554 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 53.9 tt0 -88.24 -31.12 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -11.42 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -114.16 -63.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.83 -20.91 22.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 73.35 43.4 38.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.62 132.27 21.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 39.7 Cg_exo -57.1 147.13 77.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.825 2.35 . . . . 0.0 112.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -58.02 -49.27 13.23 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.85 2.367 . . . . 0.0 112.369 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 -3.37 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.561 ' OE1' HD21 ' A' ' 71' ' ' LEU . 3.6 mt-30 -104.47 10.87 35.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.876 ' OE1' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -124.73 120.87 33.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.886 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.535 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -107.78 101.73 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.91 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 mt -89.84 103.44 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.17 83.47 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CD1' HG13 ' A' ' 67' ' ' ILE . 14.1 t80 -82.84 121.14 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.32 11.29 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.35 -18.41 35.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.384 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 137.95 32.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' O ' ' OE1' ' A' ' 51' ' ' GLU . 27.0 tt0 -89.41 127.63 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.91 HD12 ' HB2' ' A' ' 43' ' ' LEU . 8.6 mt -69.98 139.05 52.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 49' ' ' GLN . 2.6 mp0 -97.61 130.52 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -61.04 104.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.41 -8.5 4.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -99.54 152.42 20.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 18.1 p -90.14 145.62 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 7.0 mt -50.08 -35.49 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -72.16 -12.44 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' THR . 84.9 m-20 -85.53 -5.95 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.075 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 18.6 m-85 -113.61 -78.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 p-10 163.41 41.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -84.03 119.9 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -99.95 176.51 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 117.56 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.0 76.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.4 m -108.83 -175.48 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.408 ' C ' HD12 ' A' ' 67' ' ' ILE . 33.8 m -128.89 133.02 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.9 mp -136.57 138.93 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 11.3 m170 -90.19 112.6 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 69' ' ' LEU . 4.4 tt -99.07 105.64 17.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.535 ' CG2' ' HB3' ' A' ' 42' ' ' ARG . 29.2 m -112.21 142.91 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD21 ' OE1' ' A' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -112.41 150.59 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.33 164.82 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -111.4 139.31 46.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.12 118.9 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -115.37 145.24 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -96.14 177.87 5.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -13.65 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.31 -17.92 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 117.21 -41.31 2.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.273 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -36.65 132.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -129.94 143.97 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' OE2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -136.88 164.01 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -123.18 128.52 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.12 163.58 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.57 113.63 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 21' ' ' ASP . 10.4 mt -141.97 175.09 10.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.5 mm-40 -107.42 158.12 33.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.2 Cg_endo -65.06 -14.23 44.12 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.248 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.9 m-20 -50.34 166.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 3.0 p -118.35 161.22 20.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 51' ' ' GLU . 3.2 t -51.04 -39.53 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -42.68 76.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.505 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.51 -59.51 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -48.65 -54.4 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 14.7 mmtt -55.56 -50.83 68.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.541 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.37 -45.62 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.728 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -42.92 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 5.8 mt -62.24 -19.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.019 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.4 tt0 -88.6 -27.56 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -31.51 16.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -90.95 -52.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.492 ' OE2' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -89.84 -9.34 49.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 68.64 22.6 75.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.614 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.7 mt -110.76 117.33 50.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.207 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 29.6 Cg_exo -61.81 153.23 69.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.742 2.295 . . . . 0.0 112.191 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 41.8 Cg_endo -67.82 -28.92 35.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.86 -17.0 60.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 21.85 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 29.6 mt-30 -100.92 122.68 43.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.7 ttt180 -117.67 90.83 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 50' ' ' LEU . 15.1 mt -91.05 131.75 36.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 47' ' ' GLY . 71.0 mt -137.29 93.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -74.55 107.25 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.22 23.29 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.036 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 108.58 -10.13 35.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -91.21 109.78 21.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.68 120.96 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 43' ' ' LEU . 24.4 mt -68.41 140.93 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.769 ' O ' HG21 ' A' ' 23' ' ' VAL . 3.7 mt-10 -111.61 133.56 53.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.35 146.86 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.29 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -89.67 149.58 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.805 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.523 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 43.6 p -89.74 166.79 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 9.2 mt -67.44 -50.19 60.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -60.26 -27.32 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 28.5 m-20 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 65.7 m-85 -93.14 21.22 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER 41.96 70.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 62' ' ' GLN . 1.2 mm? -93.32 179.3 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 19.7 mm100 -143.52 164.32 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 139.05 56.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.99 71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -112.77 135.32 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -127.13 131.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -92.52 114.94 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -103.45 131.33 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.05 141.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.72 160.24 18.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.736 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 mt -145.92 140.77 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -102.19 126.41 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 30' ' ' ILE . 32.3 t -118.63 99.11 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -93.77 139.73 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -99.86 -164.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.58 -12.3 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -90.5 -30.19 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.93 14.6 7.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -90.59 110.2 21.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 m -98.31 114.73 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.066 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.29 132.92 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -107.69 96.16 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.11 159.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.72 112.67 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD21 ' CE ' ' A' ' 29' ' ' LYS . 3.8 mt -144.63 177.76 8.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -111.45 156.26 41.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 19.8 Cg_endo -58.24 -22.97 59.89 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.806 2.338 . . . . 0.0 112.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -75.28 -35.77 61.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HB2' HD12 ' A' ' 56' ' ' LEU . 16.4 m-20 -46.11 149.06 0.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG22 ' A' ' 55' ' ' THR . 34.1 p -99.39 157.21 16.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 54' ' ' ARG . 62.0 t -46.97 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CG ' ' OD1' ' A' ' 52' ' ' ASP . 2.7 mt-10 -58.6 -51.55 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.457 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -55.07 -48.26 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.323 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -55.96 -55.01 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.46 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HD2' HG12 ' A' ' 23' ' ' VAL . 15.2 mttp -52.78 -40.85 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.04 74.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.547 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.724 ' CE ' HD21 ' A' ' 17' ' ' LEU . 3.3 mptp? -57.45 -45.57 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.318 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.687 ' CG2' HD12 ' A' ' 36' ' ' ILE . 6.1 mt -68.45 -17.99 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -90.26 -35.91 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.645 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.96 5.52 40.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -126.62 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -103.29 -10.8 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.61 32.28 67.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.371 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.687 HD12 ' CG2' ' A' ' 30' ' ' ILE . 1.8 mt -100.12 125.97 38.04 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.228 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 85.4 Cg_endo -79.72 142.21 15.89 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.819 2.346 . . . . 0.0 112.526 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 58.1 Cg_exo -52.28 -22.36 15.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.889 2.393 . . . . 0.0 112.348 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -47.65 79.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.6 mt-30 -93.43 0.44 56.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.177 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.0 mt-30 -89.75 106.54 18.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.337 . . . . 0.0 111.208 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 15.1 mtp180 -110.86 103.06 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.6 mt -90.08 127.09 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 43' ' ' LEU . 5.1 mm -126.17 99.79 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 45.5 t80 -99.35 121.05 40.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.11 30.75 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.53 22.43 53.8 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -121.24 123.21 41.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.47 113.14 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 43' ' ' LEU . 9.5 mt -66.42 148.43 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -129.05 134.06 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 12.2 t0 -47.47 114.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.95 -25.68 3.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.585 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.89 148.43 22.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 36.9 p -90.08 157.65 17.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 21' ' ' ASP . 22.2 mt -59.42 -42.78 92.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 48.0 t -61.22 -32.48 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.78 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 91.6 m-20 -57.87 -29.77 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 50' ' ' LEU . 85.1 m-85 -92.8 23.21 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.95 42.21 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.534 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mt -75.24 125.44 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -95.76 -174.85 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -71.11 139.0 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 50.34 68.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -92.97 174.73 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.4 m -126.47 101.82 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.43 146.48 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.82 110.52 22.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tt -88.03 115.38 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -109.68 150.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.059 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.679 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.8 mm? . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.2 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.97 99.83 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.6 mt -96.34 163.55 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 m-85 -113.96 158.98 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 64.5 t -143.13 105.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 16.5 ptmt -95.84 151.02 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.55 -176.38 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -85.04 -7.63 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -96.63 -44.45 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.35 38.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 106.44 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 23.5 m -103.08 125.72 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HG ' ' HB ' ' A' ' 5' ' ' VAL . 1.7 pp -115.48 -173.31 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -147.77 139.25 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.56 152.76 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.28 103.31 15.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' OD2' ' A' ' 21' ' ' ASP . 13.5 mt -132.53 140.54 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.52 151.5 41.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 57' ' ' SER . 75.0 Cg_exo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 p -65.64 -40.55 92.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.613 ' OD2' HD22 ' A' ' 17' ' ' LEU . 2.0 m-20 -45.68 155.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 161.97 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 43' ' ' LEU . 22.3 t -46.36 -37.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -59.67 -50.25 74.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -53.34 -44.54 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 HD13 ' A' ' 43' ' ' LEU . 10.1 tp -56.96 -52.82 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.611 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 18.9 mttt -58.32 -50.72 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.07 -45.88 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -62.2 -47.5 84.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 69' ' ' LEU . 63.6 mt -58.48 -19.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 13.2 tt0 -82.41 -35.8 27.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -11.64 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 -61.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.55 -8.61 52.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.3 32.59 68.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.425 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 12.3 mt -121.97 120.23 28.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 111.263 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 32.2 Cg_exo -58.17 153.26 47.07 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 112.101 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 52.2 Cg_exo -54.88 -43.21 61.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 m-20 -68.68 -22.65 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -89.8 9.41 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -142.51 144.75 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.0 111.011 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -126.03 122.66 36.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.789 HD13 HD23 ' A' ' 26' ' ' LEU . 1.7 mt -92.96 126.19 37.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mm -129.87 108.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -114.64 124.43 51.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.91 37.96 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.23 9.26 67.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 107.13 14.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -65.67 133.37 50.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 43' ' ' LEU . 5.3 mt -68.83 134.25 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.6 118.29 36.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -46.67 143.68 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.3 -15.58 62.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.578 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -92.48 167.26 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.507 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 70.6 p -105.72 153.13 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -61.16 -38.5 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 38.9 t -59.76 -23.7 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 69.7 m-20 -70.84 -32.47 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 55.9 m-85 -98.66 33.18 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 6.6 p30 41.94 62.0 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -91.22 111.63 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.05 -177.73 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 135.68 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 74.89 40.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -82.78 165.98 19.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 67' ' ' ILE . 50.0 m -126.64 118.26 24.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 mp -113.57 127.47 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.496 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.5 m170 -90.08 112.68 24.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 30' ' ' ILE . 8.3 tt -95.09 116.17 28.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.15 143.07 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.3 tm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.627 ' CE ' HD21 ' A' ' 3' ' ' LEU . 8.4 ttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -100.1 152.15 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.627 HD21 ' CE ' ' A' ' 1' ' ' MET . 2.6 mt -140.7 145.97 37.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 65' ' ' SER . 40.8 m-85 -114.58 128.51 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.57 115.56 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -99.8 153.24 19.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 19.9 p -109.75 -175.43 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 15.65 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -126.09 13.12 7.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 -11.16 56.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 126.41 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -125.2 130.09 51.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 14' ' ' THR . 2.2 pp -109.59 169.36 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 24.4 m -134.98 122.93 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.779 ' HB ' HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.91 153.81 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.438 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.0 mt-10 -128.83 107.22 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.838 ' N ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.77 168.68 22.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -91.36 149.9 40.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 79.6 Cg_exo -46.78 -22.42 1.9 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.238 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 p -67.58 -39.71 84.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.74 157.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.7 p -115.26 169.08 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.9 t -49.53 -29.66 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.736 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -45.52 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 16.3 m120 -62.24 -52.82 62.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.449 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 15' ' ' VAL . 23.0 tp -54.1 -47.32 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.4 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 27.0 mttm -63.79 -52.07 61.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 -44.76 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.52 -48.47 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.51 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.625 HD13 HD12 ' A' ' 69' ' ' LEU . 36.7 mt -59.8 -19.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.0 tt0 -89.59 -33.77 16.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.29 -11.69 40.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.8 mttp -104.86 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 mm-40 -89.98 -12.27 39.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 74.97 27.71 63.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.411 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 41' ' ' GLN . 56.8 mt -104.59 133.14 20.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 87.2 Cg_endo -81.18 147.87 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 45.3 Cg_exo -56.07 -21.19 33.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -24.54 55.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 38.0 mt-30 -113.97 3.97 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 36' ' ' ILE . 5.9 mt-30 -89.87 108.29 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.073 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 7.1 ttt180 -105.53 98.95 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 44.1 mt -89.94 118.48 29.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 43' ' ' LEU . 19.1 mm -123.37 102.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -103.32 110.44 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.23 40.57 27.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -9.46 57.12 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 120.21 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.37 112.46 21.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.9 mt -57.94 146.73 31.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -114.51 128.62 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 103.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.75 -13.52 3.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -94.74 160.44 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 32.8 p -95.2 163.89 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 3' ' ' LEU . 5.8 mt -66.12 -54.4 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 1.3 t -50.61 -37.55 40.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 83.2 m-20 -48.17 -29.7 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CE2' HD22 ' A' ' 50' ' ' LEU . 73.9 m-85 -93.05 26.34 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 38.81 33.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.17 160.9 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.09 178.05 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.87 133.07 55.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 46.95 84.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 69.3 m -104.85 172.37 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.9 m -122.32 107.71 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.7 mp -112.82 140.55 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -93.83 129.16 40.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 30' ' ' ILE . 7.7 tt -107.9 116.63 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.22 144.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 3' ' ' LEU . 4.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -97.8 101.18 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 1' ' ' MET . 23.4 mt -99.38 140.04 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.39 133.7 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.35 101.24 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 5.8 ptpt -98.86 174.93 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -133.81 -161.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 70' ' ' VAL . 11.1 mt -87.64 -19.52 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -89.97 -8.35 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -43.23 1.73 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.85 115.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 6' ' ' LYS . 52.0 m -123.68 125.38 44.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.996 HD22 ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -102.81 149.82 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 m -108.47 128.74 55.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 13' ' ' LEU . 3.4 m -132.21 158.55 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.7 117.74 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 1' ' ' MET . 4.8 mt -136.59 -174.69 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -129.36 152.03 78.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.83 -22.1 6.77 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.203 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.56 -39.5 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -41.51 151.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 55' ' ' THR . 66.9 p -113.82 170.58 8.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 43' ' ' LEU . 75.4 t -47.5 -43.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -53.71 -44.45 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 18.6 m120 -58.99 -54.45 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.571 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 43' ' ' LEU . 12.1 tp -50.04 -54.87 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.486 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 68.8 mttt -59.12 -42.89 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.403 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.75 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 1.7 mmmt -73.76 -44.65 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.68 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.819 HD12 ' OE1' ' A' ' 41' ' ' GLN . 15.0 mt -58.0 -30.3 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.0 tt0 -81.14 -26.41 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -7.73 52.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 15' ' ' VAL . 1.5 mttm -118.49 -52.82 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.996 ' OE1' HD22 ' A' ' 13' ' ' LEU . 1.8 mp0 -102.65 14.26 32.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.76 32.46 4.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -98.17 125.85 42.15 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.5 Cg_endo -79.82 142.62 15.97 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.794 2.33 . . . . 0.0 112.404 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 35.7 Cg_exo -59.7 -23.45 71.71 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -64.83 -21.92 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.5 mt-30 -125.98 21.07 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.819 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.2 mt-30 -94.85 123.58 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 1.4 tpp180 -112.87 94.39 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 26' ' ' LEU . 22.5 mt -89.83 115.92 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.88 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.056 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' CE2' HD23 ' A' ' 61' ' ' LEU . 10.5 t80 -126.88 126.77 43.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.52 42.26 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.25 32.04 75.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.87 109.51 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 44.5 tt0 -72.98 137.04 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.67 154.08 34.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -113.67 119.13 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.08 103.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.51 -12.79 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -103.28 168.4 9.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 22' ' ' THR . 45.8 p -96.81 164.96 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' A' ' 61' ' ' LEU . 5.8 mt -67.55 -38.93 84.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -45.63 77.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -47.82 -28.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 88.8 m-85 -98.11 19.83 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.8 p-10 45.65 45.89 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 56' ' ' LEU . 47.4 mt -77.67 117.35 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -98.29 173.74 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.2 tttm -68.59 119.6 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER 84.24 77.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -121.28 144.64 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -103.11 93.36 4.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.453 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.5 mp -94.97 141.35 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -95.88 117.74 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 43' ' ' LEU . 3.2 tp -104.28 115.36 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -103.79 154.92 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -84.83 156.83 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -140.05 120.86 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -94.03 105.77 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.6 t -101.16 103.32 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.77 148.89 24.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -115.5 -167.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.17 2.13 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -100.39 -4.67 28.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 -16.26 53.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 2.6 tttm -64.52 136.05 56.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -113.6 122.15 46.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.85 HD11 ' OE1' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -98.64 130.34 45.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 2' ' ' GLN . 55.0 m -109.32 103.19 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.66 150.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.72 107.49 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 56' ' ' LEU . 1.3 tp -139.69 144.48 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.8 mp0 -90.74 153.49 45.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' OG ' ' A' ' 57' ' ' SER . 51.0 Cg_exo -52.96 -36.83 77.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -57.65 -35.15 70.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.8 m-20 -54.22 153.04 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -108.1 162.47 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 66.7 t -50.1 -30.18 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.995 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -49.86 73.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -59.28 -53.27 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -47.41 -52.14 17.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HE2' HD12 ' A' ' 43' ' ' LEU . 17.1 mmtt -54.37 -53.8 49.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.66 -52.91 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.683 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -55.65 -43.99 76.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.739 HD12 ' OE1' ' A' ' 41' ' ' GLN . 56.8 mt -62.96 -19.12 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.932 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.8 tt0 -90.13 -22.98 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -8.88 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -118.7 -54.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.85 ' OE1' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.25 9.66 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 48.39 31.61 9.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.533 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG13 ' CB ' ' A' ' 34' ' ' GLU . 2.9 mt -99.68 123.07 49.12 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.357 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 97.1 Cg_endo -80.91 149.6 17.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.746 2.297 . . . . 0.0 112.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 22.1 Cg_endo -61.6 -22.14 73.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.232 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.32 -25.64 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -115.89 6.59 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.739 ' OE1' HD12 ' A' ' 30' ' ' ILE . 10.6 mt-30 -93.66 123.99 37.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -119.61 91.61 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.629 HD12 ' HE2' ' A' ' 27' ' ' LYS . 10.4 mt -89.84 134.26 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -137.05 118.19 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -105.35 118.14 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.77 45.24 27.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.03 20.7 74.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 97.07 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.89 130.91 47.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD22 ' CD2' ' A' ' 59' ' ' TYR . 17.5 mt -78.17 157.82 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 9.9 t70 -47.41 146.9 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.41 -19.44 50.33 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.96 153.44 20.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.444 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 55.3 p -90.59 131.91 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 17' ' ' LEU . 54.3 mt -46.24 -29.77 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.813 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -69.93 -19.62 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 19.7 m-20 -71.2 -18.87 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.52 ' CD2' HD22 ' A' ' 50' ' ' LEU . 58.9 m-85 -101.38 31.09 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' TYR . 1.4 p-10 37.0 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 1.1 mt -64.11 133.3 52.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -98.14 -173.46 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 142.49 46.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 45.33 53.29 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -76.62 161.3 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -108.01 110.0 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.12 142.35 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -99.76 108.2 20.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.46 117.23 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -121.63 150.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.755 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.3 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.32 134.98 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 1' ' ' MET . 11.2 mt -134.7 140.19 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.84 115.51 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.16 107.3 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 12.3 ptmm? -92.95 143.4 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -103.32 -170.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.1 -3.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.4 p -103.56 25.24 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.97 44.87 72.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 1.7 ttpt -120.04 124.23 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.789 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.05 117.54 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 15' ' ' VAL . 1.9 tp -106.34 129.65 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.6 m -108.61 112.64 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 13' ' ' LEU . 2.6 m -122.41 148.39 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 125.58 51.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.911 HD23 ' OD2' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.17 -169.44 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 0.3 OUTLIER -132.76 147.31 65.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 58.1 Cg_exo -51.38 -18.13 5.06 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.299 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -74.46 -28.07 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.911 ' OD2' HD23 ' A' ' 17' ' ' LEU . 46.1 m-20 -68.83 151.86 46.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 25.2 p -108.6 159.91 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 78.1 t -41.22 -47.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.59 -57.54 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.79 -54.08 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.549 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 17' ' ' LEU . 22.9 tp -49.74 -37.02 27.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 26.8 mttt -66.81 -49.23 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.432 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.02 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -69.98 -44.87 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 HD12 ' OE1' ' A' ' 41' ' ' GLN . 4.5 mt -63.27 -18.42 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.985 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.0 tt0 -83.65 -40.25 19.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 6.38 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE3' HG12 ' A' ' 15' ' ' VAL . 21.8 mttm -120.57 -67.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 42.54 95.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.498 ' HB ' HG22 ' A' ' 30' ' ' ILE . 61.2 mt -112.36 119.47 43.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_exo -60.54 136.22 65.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.82 2.347 . . . . 0.0 112.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -58.8 -28.54 87.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.258 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -17.22 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.026 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -119.07 21.11 12.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.559 ' OE1' HD12 ' A' ' 30' ' ' ILE . 37.3 mt-30 -100.34 100.2 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 ttm-85 -98.93 99.82 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.812 HD13 HD12 ' A' ' 50' ' ' LEU . 45.5 mt -89.71 123.34 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 44' ' ' ILE . 11.7 mt -121.85 74.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 15.1 t80 -75.04 116.52 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 40.48 30.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.94 -10.0 49.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -92.05 120.53 32.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -80.34 105.46 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 43' ' ' LEU . 21.0 mt -50.2 151.37 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -127.23 116.89 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 10.3 t70 -43.86 138.94 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.24 9.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.556 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 158.14 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 3.9 p -94.44 160.58 14.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 19.4 mt -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.9 -38.83 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.882 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 16.7 m-20 -50.78 -35.53 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ASN . 96.4 m-85 -92.91 34.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' TYR . 12.8 p30 36.5 45.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -80.99 122.09 26.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' LYS . 1.1 mt-30 -102.89 137.67 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -38.33 124.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mm-40 84.14 72.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -134.08 151.94 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -96.93 147.1 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -140.73 129.97 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.2 m170 -92.98 103.69 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 43' ' ' LEU . 65.4 tp -91.16 105.66 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -103.09 152.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.6 tmm? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.524 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.38 154.44 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' A' ' 1' ' ' MET . 39.7 mt -135.88 129.55 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.3 m-30 -96.9 108.44 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -103.88 101.91 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.7 147.76 22.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 p -105.91 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 70' ' ' VAL . 4.0 mm? -77.65 -12.51 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -90.74 -13.16 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.12 -52.19 0.65 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -38.98 130.89 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -113.64 133.91 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.8 mt -96.14 160.03 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -133.46 105.52 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.84 147.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 113.95 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -135.3 -178.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.031 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mm-40 -122.87 160.62 48.4 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.628 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 38.1 Cg_endo -66.55 -5.51 13.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.558 2.172 . . . . 0.0 112.22 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -89.26 -23.8 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.817 ' CG ' HD23 ' A' ' 17' ' ' LEU . 28.9 m-20 -67.64 170.06 8.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.788 0.327 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 55' ' ' THR . 2.2 p -125.21 166.19 16.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 66.8 t -45.99 -47.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -51.8 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -57.1 -54.97 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.1 tp -48.91 -55.09 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 16.7 mttt -55.65 -52.51 63.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.5 -43.55 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' HD11 ' A' ' 17' ' ' LEU . 10.4 mttt -66.72 -45.89 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.9 HD12 ' OE1' ' A' ' 41' ' ' GLN . 20.1 mt -56.38 -30.56 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.7 tt0 -75.63 -35.16 60.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.24 -6.25 56.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.71 -58.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' A' ' 36' ' ' ILE . 3.1 mm-40 -112.65 30.92 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 41.32 33.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.795 ' HB ' HG22 ' A' ' 30' ' ' ILE . 4.5 mt -98.43 109.23 51.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.218 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 16.7 Cg_exo -67.88 140.69 51.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.965 2.443 . . . . 0.0 112.269 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 39.1 Cg_exo -57.11 -29.38 83.0 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.719 2.279 . . . . 0.0 112.195 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -32.72 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -109.5 25.12 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.9 ' OE1' HD12 ' A' ' 30' ' ' ILE . 27.5 mt-30 -104.32 125.31 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 70' ' ' VAL . 29.5 mtt180 -130.39 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 50' ' ' LEU . 7.1 mt -89.7 112.43 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 49' ' ' GLN . 19.6 mm -101.88 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.12 115.27 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.63 22.88 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 44' ' ' ILE . . . 96.63 -6.04 64.84 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.654 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 135.09 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.536 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.2 tt0 -86.06 119.01 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.803 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 43' ' ' LEU . 15.5 mt -63.96 136.85 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -103.42 122.82 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.17 106.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.72 -8.9 4.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -100.91 150.16 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 22' ' ' THR . 47.1 p -91.16 145.92 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.9 mt -45.37 -40.67 8.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -62.55 -38.87 91.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 66.1 m-20 -54.84 -31.48 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 50' ' ' LEU . 27.2 m-85 -95.06 23.23 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p30 39.33 57.55 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -89.25 132.02 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -97.22 175.18 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 51.19 54.29 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 61' ' ' LEU . 51.7 m -77.58 163.85 25.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -113.1 111.41 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.42 144.49 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 9.8 m170 -102.59 129.07 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 HD13 ' A' ' 30' ' ' ILE . 7.4 tt -102.43 118.22 36.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -118.64 150.55 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.951 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.832 0.349 . . . . 0.0 111.234 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.35 138.98 47.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 17' ' ' LEU . 28.2 mt -138.93 136.3 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -95.04 134.43 37.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.62 103.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 15.2 ptmt -93.3 151.51 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -115.99 -172.45 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -88.88 19.82 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -118.15 -0.44 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 -6.8 82.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -83.05 138.45 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.935 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -119.17 120.05 35.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -97.08 171.54 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.3 m -144.85 109.0 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.88 155.56 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 18.9 mp0 -96.99 106.16 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD23 HD11 ' A' ' 56' ' ' LEU . 1.2 tp -136.11 143.51 44.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -96.39 163.65 20.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 36.4 Cg_endo -65.53 -16.52 54.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.2 p -85.21 -18.32 34.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 169.97 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -122.47 160.31 25.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 94.6 t -50.72 -35.25 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -44.3 89.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.2 m120 -64.01 -47.13 81.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 tp -50.72 -57.14 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' GLN . 14.1 mttt -58.94 -35.39 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.628 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -57.69 -38.17 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -72.26 -42.06 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.016 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -62.88 -25.86 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 1.3 tt0 -86.36 -26.27 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -28.12 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -49.09 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' A' ' 11' ' ' LYS . 1.8 tt0 -94.11 -46.6 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 104.32 27.79 6.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 14.5 mm -99.92 130.88 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_exo -64.93 148.0 89.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 22.7 Cg_exo -63.97 -43.9 14.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.828 2.352 . . . . 0.0 112.256 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -64.44 -13.4 51.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -111.31 20.21 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 1.016 ' OE1' HD12 ' A' ' 30' ' ' ILE . 36.5 mt-30 -115.31 95.98 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -96.12 94.49 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.68 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.734 HD21 HD12 ' A' ' 69' ' ' LEU . 78.7 mt -89.61 125.63 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -117.64 78.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 68.6 t80 -79.88 118.81 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.55 46.77 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.97 33.49 84.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -132.89 111.14 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.726 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.67 101.79 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 43' ' ' LEU . 22.5 mt -50.43 121.72 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.19 116.38 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -45.4 124.22 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.47 -24.52 6.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.531 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.45 162.27 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -95.65 155.36 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD11 HD23 ' A' ' 17' ' ' LEU . 15.5 mt -64.57 -27.73 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 2.2 t -65.77 -30.0 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CB ' HD23 ' A' ' 61' ' ' LEU . 39.4 m-85 -103.53 29.28 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.84 32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -60.28 130.02 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -102.61 -171.78 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CD ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -89.34 130.1 35.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' OE2' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mt-10 69.31 27.96 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -64.57 158.14 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -111.65 102.16 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.3 134.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.09 114.99 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HD21 ' A' ' 43' ' ' LEU . 10.1 tt -103.96 124.07 48.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.776 HG23 ' HB2' ' A' ' 42' ' ' ARG . 26.7 m -114.54 135.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.798 0.332 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -84.04 123.56 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.01 156.98 19.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -122.71 101.34 7.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.77 127.27 42.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.3 ptmm? -115.34 127.41 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.515 HG22 HD12 ' A' ' 69' ' ' LEU . 65.7 p -89.89 -175.42 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -83.53 -3.47 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -90.88 17.01 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.05 17.66 68.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.605 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.26 142.74 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -127.65 113.79 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CD1' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -100.27 152.58 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.5 m -100.77 142.47 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.43 170.84 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.025 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -127.81 123.08 34.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD23 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -149.82 143.95 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -99.04 154.39 37.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.97 -27.41 16.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.823 2.348 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -72.16 -34.54 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-20 -50.12 158.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 55' ' ' THR . 60.3 p -119.58 155.56 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 40.8 t -42.46 -34.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -57.84 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.68 -49.61 56.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.19 -47.08 46.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.396 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -57.21 -43.69 83.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.68 -41.34 66.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.666 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -64.55 -41.37 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.89 HD12 ' OE1' ' A' ' 41' ' ' GLN . 81.1 mt -69.44 -17.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 19.0 tt0 -90.18 -26.17 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -32.33 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -51.02 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -99.05 -46.27 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 95.6 36.06 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.416 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 mt -94.8 127.6 42.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -58.29 135.27 66.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.82 2.347 . . . . 0.0 112.218 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.7 Cg_exo -53.85 -39.01 85.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -33.83 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -92.37 9.38 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.89 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.9 mt-30 -95.74 92.74 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 ttt180 -96.25 94.07 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 80.2 mt -89.7 129.81 36.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.61 94.75 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -102.44 126.97 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.78 33.61 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.55 47.21 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 122.61 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.41 104.38 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -43.96 121.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.08 117.71 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.6 115.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 123.03 -7.07 9.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.67 148.45 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 16.5 p -91.13 139.8 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 17' ' ' LEU . 7.3 mt -46.23 -36.4 6.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -16.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 92.0 m-20 -76.98 -20.73 55.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CE2' HD22 ' A' ' 50' ' ' LEU . 54.7 m-85 -109.5 28.43 8.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.22 54.75 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.5 mt -82.92 119.86 24.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 44.0 mt-30 -107.12 163.35 13.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.7 136.96 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.73 89.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -128.56 155.17 45.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.87 119.3 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.23 133.2 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -95.46 108.09 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.821 HD22 ' N ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -93.99 129.08 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.821 ' N ' HD22 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -122.35 135.5 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 71' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.5 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.2 mt-30 -95.99 143.51 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 17' ' ' LEU . 2.5 mt -133.58 152.89 51.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.29 145.22 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 12' ' ' THR . 35.8 t -135.02 112.02 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 4.4 ptmt -105.12 166.99 10.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -121.87 -172.96 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt -70.16 -22.09 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -90.66 -29.46 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.17 4.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -41.79 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -111.63 142.59 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -110.06 153.38 24.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -144.51 152.55 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.92 100.95 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 3' ' ' LEU . 38.5 mt -133.21 157.29 45.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.2 mm-40 -108.38 157.73 35.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.1 Cg_endo -60.12 -16.33 39.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.207 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 p -81.81 -23.49 36.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 55' ' ' THR . 87.7 m-20 -60.77 173.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -129.72 163.4 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.0 t -48.57 -29.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -48.85 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.23 -49.44 77.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.3 tp -59.93 -53.51 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 15.8 mttt -49.91 -48.2 51.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.1 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -56.1 -36.31 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.565 HD12 ' OE1' ' A' ' 41' ' ' GLN . 21.9 mt -75.89 -20.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -88.83 -22.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -27.33 19.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.229 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -100.56 -52.13 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB2' HG12 ' A' ' 36' ' ' ILE . 1.8 mm-40 -89.81 -7.32 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 64.03 25.89 69.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.562 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 34' ' ' GLU . 3.8 mm -97.39 131.64 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 98.7 Cg_endo -80.28 142.8 15.26 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 19.2 Cg_endo -59.0 -22.56 64.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.835 2.356 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.58 -36.44 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.501 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 6.6 mt-30 -102.35 3.14 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.565 ' OE1' HD12 ' A' ' 30' ' ' ILE . 8.6 mt-30 -91.71 130.32 37.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -129.21 101.33 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.68 118.95 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 42' ' ' ARG . 39.6 mm -106.44 121.52 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 6.5 t80 -129.92 109.41 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.49 59.99 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.65 18.56 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.647 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 14.0 mttp -126.64 129.16 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG2' HD13 ' A' ' 44' ' ' ILE . 2.8 tm0? -86.65 126.46 34.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.44 130.26 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' HG21 ' A' ' 23' ' ' VAL . 18.6 mm-40 -96.23 131.94 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.59 93.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.61 -15.13 1.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -92.0 158.87 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 47.4 p -95.59 142.62 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 61' ' ' LEU . 9.9 mt -46.75 -38.49 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -32.54 71.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' THR . 73.7 m-20 -60.87 -21.49 63.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -104.07 25.0 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 44.38 39.58 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 10.2 mt -70.96 156.55 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -143.91 149.1 36.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 134.4 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.45 81.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -124.95 163.0 23.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -120.41 93.67 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.38 136.42 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.509 ' NE2' ' HD3' ' A' ' 6' ' ' LYS . 11.2 m170 -96.41 137.14 35.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.0 tt -107.9 123.04 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -117.89 147.61 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.866 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.911 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.39 138.23 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 mt -123.4 145.14 49.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 m-85 -108.54 105.29 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 t -94.12 134.61 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -121.05 172.85 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.472 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 63.6 p -123.11 172.66 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -15.87 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -91.18 -54.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.34 -39.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.562 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 124.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -123.68 117.67 25.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 168.17 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.4 m -129.67 142.32 50.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 m -137.4 149.41 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -98.72 111.97 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 56' ' ' LEU . 1.6 tp -138.41 174.96 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 mm-40 -118.48 157.18 50.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 57' ' ' SER . 35.8 Cg_endo -64.86 -17.7 60.2 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.284 . . . . 0.0 112.193 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -85.97 -21.8 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.8 m-20 -59.88 179.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 55' ' ' THR . 4.7 p -135.07 166.93 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.691 HG12 ' HG3' ' A' ' 27' ' ' LYS . 55.8 t -46.59 -45.92 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -44.02 -51.05 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.75 -54.18 45.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.02 -53.73 30.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HG3' HG12 ' A' ' 23' ' ' VAL . 15.6 mttt -57.93 -42.39 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.3 53.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -67.01 -46.96 72.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.689 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.705 HD13 HD22 ' A' ' 69' ' ' LEU . 8.0 mt -61.8 -18.38 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.7 tt0 -89.9 -25.65 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -42.76 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -54.34 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.87 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 127.04 30.26 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.579 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CG2' ' A' ' 30' ' ' ILE . 5.9 mt -100.22 131.97 23.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 95.4 Cg_endo -81.33 145.83 15.26 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.739 2.293 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.3 Cg_exo -59.04 -26.71 82.68 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.772 2.314 . . . . 0.0 112.306 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 1.2 p-10 -72.89 -9.03 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.65 6.17 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' OE1' HD12 ' A' ' 30' ' ' ILE . 9.6 mt-30 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -126.75 102.57 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.863 HD13 HD12 ' A' ' 50' ' ' LEU . 26.4 mt -89.99 109.33 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' ILE . 50.7 mm -111.85 76.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -69.62 94.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.79 22.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.92 -5.13 24.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -94.12 108.88 20.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -82.62 111.14 18.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 43' ' ' LEU . 46.6 mt -74.58 125.91 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.96 140.19 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 135.02 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.76 -19.8 40.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.85 144.33 26.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' THR . 61.5 p -90.58 143.3 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 17' ' ' LEU . 20.1 mt -42.7 -45.94 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -54.69 -44.6 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 55' ' ' THR . 94.0 m-20 -45.37 -37.98 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 50' ' ' LEU . 64.5 m-85 -90.65 23.78 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' SER . 4.1 p-10 38.83 69.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.88 165.4 12.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -130.83 170.38 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -66.4 124.22 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 69.4 71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -103.12 158.94 15.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.7 m -111.78 96.62 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 43' ' ' LEU . 3.7 mt -96.53 132.31 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -91.18 99.58 12.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 30' ' ' ILE . 15.1 tp -87.0 114.32 23.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 42' ' ' ARG . 27.3 m -118.44 150.19 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 71' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' HD11 ' A' ' 3' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.784 ' NE2' HG22 ' A' ' 14' ' ' THR . 31.2 tp60 -69.79 121.32 17.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.584 HD11 ' SD ' ' A' ' 1' ' ' MET . 13.2 mt -128.09 153.93 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -109.71 143.1 39.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.69 118.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 68' ' ' HIS . 14.3 ptmm? -95.06 136.31 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -94.39 -160.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp -82.0 -17.55 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -95.85 4.88 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.05 -28.58 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -38.2 131.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.54 111.94 24.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 15' ' ' VAL . 1.5 tp -93.35 141.01 28.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.784 HG22 ' NE2' ' A' ' 2' ' ' GLN . 6.0 m -119.03 99.54 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 13' ' ' LEU . 17.1 m -112.81 158.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -123.79 126.46 46.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 1' ' ' MET . 8.9 mt -140.77 -174.23 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.28 154.54 48.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.18 -18.64 64.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.796 2.331 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 p -82.04 -23.33 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -57.37 174.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 55' ' ' THR . 70.7 p -130.54 165.89 21.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.51 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 99.6 t -44.46 -43.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' HG3' ' OD1' ' A' ' 52' ' ' ASP . 2.1 mt-10 -52.16 -52.23 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.656 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 12.5 m120 -53.16 -51.19 62.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -53.83 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.599 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 41.0 mttt -50.59 -44.4 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -45.42 -53.2 9.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.759 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 1.8 mttp -60.75 -39.46 88.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.899 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.2 mt -56.68 -29.74 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -85.59 -21.13 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -14.5 33.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.31 -58.0 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.92 -6.31 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 57.58 32.61 65.2 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.572 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HB ' HG22 ' A' ' 30' ' ' ILE . 51.9 mt -96.5 123.19 55.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.708 0.29 . . . . 0.0 111.046 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.4 Cg_exo -62.06 138.2 71.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.8 2.333 . . . . 0.0 112.206 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 -25.83 51.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.01 -22.24 65.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.529 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.15 14.97 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.741 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.899 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.7 mt-30 -90.71 117.0 29.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' CB ' HG23 ' A' ' 70' ' ' VAL . 3.5 mtt85 -116.14 104.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.756 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HD12 ' A' ' 50' ' ' LEU . 69.6 mt -89.84 115.9 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 21.3 mm -114.68 89.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 12.4 t80 -101.81 104.68 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.16 38.35 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 0.9 87.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 10.0 mttt -98.43 144.96 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -106.24 104.48 14.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.916 HD12 HD13 ' A' ' 43' ' ' LEU . 5.3 mt -54.73 120.22 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -93.57 127.0 39.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.5 t70 -56.28 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.74 -21.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -91.0 160.14 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 22' ' ' THR . 82.3 p -94.72 144.24 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.9 mt -40.56 -43.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -62.93 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -50.59 -34.62 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 30.3 m-85 -96.21 25.98 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 41.19 78.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.5 mt -105.7 110.04 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -90.02 178.82 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -78.21 143.34 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.01 49.66 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -99.64 148.11 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -110.81 113.39 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.65 140.78 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 4.4 m170 -91.94 121.26 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.596 HD22 HD13 ' A' ' 30' ' ' ILE . 11.6 tp -114.28 115.67 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 ' CB ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -115.03 142.45 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 40' ' ' GLN . 10.3 tp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.456 ' CB ' ' HD2' ' A' ' 63' ' ' LYS . 14.6 ptt? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.25 142.73 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 17' ' ' LEU . 65.5 mt -130.63 142.22 50.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.85 136.49 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.33 121.08 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 5.8 ptpt -106.93 153.05 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -105.28 -174.62 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.737 HD21 HG13 ' A' ' 70' ' ' VAL . 5.1 mt -78.13 -1.27 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -113.66 -8.94 13.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.17 -7.62 44.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.574 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 97.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -91.87 149.05 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD12 ' OE2' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -131.54 162.48 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -126.22 110.15 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.05 173.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -125.47 121.86 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 3' ' ' LEU . 5.5 mt -148.93 178.75 8.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 mm-40 -113.92 156.85 43.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.6 Cg_endo -64.66 -21.03 65.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.763 2.309 . . . . 0.0 112.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 p -85.55 -17.83 35.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -53.73 163.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -109.25 156.93 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 27' ' ' LYS . 16.2 t -51.14 -34.5 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -44.12 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.56 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -58.7 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.438 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -57.3 -54.61 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD11 ' A' ' 43' ' ' LEU . 2.7 mttm -54.12 -42.87 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.457 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 mmtm -60.86 -44.06 97.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.376 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.767 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.7 mt -68.0 -17.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -88.32 -24.71 23.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -13.49 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -112.87 -55.1 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.506 ' OE1' HD11 ' A' ' 36' ' ' ILE . 22.1 mt-10 -91.43 -3.71 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 62.19 24.1 64.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.392 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.52 HD12 ' CG2' ' A' ' 30' ' ' ILE . 4.0 mt -94.57 124.94 53.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.3 Cg_endo -78.75 141.38 17.13 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.689 2.259 . . . . 0.0 112.6 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.59 -20.76 43.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.81 2.34 . . . . 0.0 112.047 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -72.11 -32.94 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.96 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -105.48 1.48 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.767 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.5 mt-30 -90.18 133.92 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.8 ttt-85 -128.84 96.53 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD11 ' HG3' ' A' ' 27' ' ' LYS . 3.8 mt -89.8 138.73 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.042 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 43' ' ' LEU . 9.1 mt -137.94 127.85 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 6.2 t80 -116.71 111.99 20.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.09 45.83 15.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.5 25.44 67.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.57 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.74 94.14 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 119.93 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.5 mt -71.4 152.18 43.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 16.5 mt-10 -125.89 122.6 36.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -49.78 111.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.42 -17.16 4.79 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -92.64 166.31 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.8 p -106.47 141.3 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.9 mt -45.09 -38.34 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 76.4 m-20 -58.55 -21.55 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 61' ' ' LEU . 62.6 m-85 -102.89 25.17 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 37.06 53.67 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.84 169.14 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.08 -170.26 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.15 132.37 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 58.41 73.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 32.5 m -103.26 159.79 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.0 m -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.4 mt -105.2 135.15 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 11.6 m170 -90.34 122.43 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.0 tt -100.15 108.5 20.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG13 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.7 151.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.849 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.461 ' HE1' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.756 0.312 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 135.4 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.75 142.19 51.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 64' ' ' GLU . 1.2 m-85 -105.25 111.62 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.06 120.63 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -107.74 165.14 11.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -119.73 -179.11 3.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.07 -9.16 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 -23.15 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 14.45 11.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 128.53 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 0.0 110.775 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -114.56 132.62 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.5 pp -127.51 140.14 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 m -95.64 122.23 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -121.81 147.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.28 116.06 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 mt -141.07 -178.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.6 mm-40 -127.3 151.83 75.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG3' ' HE1' ' A' ' 1' ' ' MET . 32.5 Cg_exo -58.16 -17.43 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.801 2.334 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.6 p -88.17 0.15 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' THR . 1.3 m-20 -74.05 158.31 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 60.6 p -112.01 160.74 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 95.7 t -48.89 -47.26 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.41 -41.23 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -61.99 -60.64 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 7.9 tp -48.69 -43.25 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 110.348 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 1.7 mmtt -57.21 -44.74 83.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.306 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.77 -41.83 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -60.53 -43.45 97.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 69' ' ' LEU . 14.2 mt -70.86 -19.27 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 10.5 tt0 -89.05 -27.44 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -9.91 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 15' ' ' VAL . 8.7 mtmm -119.24 -56.34 2.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.93 -1.15 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.53 34.71 35.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.602 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mt -107.45 120.65 46.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.3 Cg_exo -60.94 153.48 63.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.812 2.342 . . . . 0.0 112.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.9 Cg_exo -60.33 -42.77 39.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.849 2.366 . . . . 0.0 112.336 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.0 -20.3 57.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -107.94 22.43 15.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.74 ' OE1' HD12 ' A' ' 30' ' ' ILE . 44.4 mt-30 -110.67 133.72 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.3 ttt85 -140.33 86.31 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.635 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' ILE . 12.8 mt -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.516 HD12 ' HG3' ' A' ' 49' ' ' GLN . 8.8 mm -121.54 78.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 45.3 t80 -54.56 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 52.69 38.65 26.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 100.76 5.48 53.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.575 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 7.8 mttm -108.53 105.42 15.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' HD12 ' A' ' 44' ' ' ILE . 1.2 mt-30 -73.23 104.35 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.9 mt -50.36 126.96 16.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 22.9 mm-40 -101.41 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -39.82 146.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.027 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 -13.43 59.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 51' ' ' GLU . 7.0 mmt180 -95.1 157.3 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.5 p -94.3 157.66 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -59.56 -33.52 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.43 -7.96 50.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HD23 ' A' ' 61' ' ' LEU . 35.6 m-85 -119.01 27.22 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 8.6 p30 49.76 29.42 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -50.19 133.19 23.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -172.28 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 3.6 ttpp -87.68 117.84 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . 6.1 mt-10 79.27 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -77.51 154.12 32.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -112.94 97.09 6.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 43' ' ' LEU . 9.2 mt -98.27 144.95 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 10.6 m170 -101.82 113.73 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 30' ' ' ILE . 5.3 tp -93.07 116.89 29.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -125.7 149.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.1 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.78 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.86 160.09 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -147.82 150.44 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -116.87 138.29 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -130.48 118.03 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 147.48 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -104.25 -158.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 70' ' ' VAL . 7.7 mt -89.69 33.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 -44.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.87 -37.74 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HD3' ' OE2' ' A' ' 34' ' ' GLU . 27.6 ttmt -42.73 106.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.1 139.86 30.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.3 125.82 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.45 108.38 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.18 158.67 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.19 129.54 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 56' ' ' LEU . 1.8 tp -147.29 -170.66 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.35 153.58 76.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 23.8 Cg_endo -61.56 -20.85 70.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -81.31 -16.56 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' THR . 14.5 m-20 -69.92 166.12 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.4 p -120.5 167.73 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 51' ' ' GLU . 11.6 t -50.2 -46.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -44.46 16.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.93 -52.19 60.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 43' ' ' LEU . 20.0 tp -50.54 -52.16 41.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.8 mmtt -55.09 -52.05 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.08 -41.53 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 17' ' ' LEU . 6.5 mmtm -64.31 -46.16 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.968 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.0 mt -61.07 -26.12 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.484 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 59.5 tt0 -85.06 -15.59 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -34.41 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -99.35 -51.2 3.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 36' ' ' ILE . 4.3 mm-40 -93.71 3.53 55.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.276 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.1 37.32 5.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.45 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 34' ' ' GLU . 37.0 mt -104.36 121.82 46.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.9 Cg_exo -59.66 133.85 54.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.836 2.357 . . . . 0.0 112.231 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.8 Cg_exo -55.83 -31.0 79.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.254 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.53 -31.38 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.83 23.65 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' OE1' HD12 ' A' ' 30' ' ' ILE . 39.7 mt-30 -104.18 120.74 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 12.5 ttp180 -115.17 89.61 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 26' ' ' LEU . 1.8 mt -90.15 113.12 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.559 HG22 ' CA ' ' A' ' 47' ' ' GLY . 54.3 mt -117.14 78.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' A' ' 50' ' ' LEU . 14.3 t80 -61.99 110.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.86 37.65 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.559 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 85.16 4.55 86.51 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -103.06 120.56 40.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.0 120.51 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 45' ' ' PHE . 9.9 mt -75.03 131.43 40.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.572 ' O ' HG21 ' A' ' 23' ' ' VAL . 6.1 mt-10 -96.21 125.39 40.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 7.0 t70 -54.52 99.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.38 -10.89 3.8 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -91.32 146.99 23.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' ASP . 5.7 p -90.43 139.16 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.841 HD11 HD23 ' A' ' 17' ' ' LEU . 10.0 mt -41.85 -35.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -64.79 -34.1 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' THR . 17.6 m-20 -56.59 -27.97 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.622 ' HB2' HD23 ' A' ' 61' ' ' LEU . 68.2 m-85 -102.48 29.84 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 39.04 41.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -61.44 149.31 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.93 -179.26 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 122.26 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.82 82.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -111.68 137.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 m -97.53 100.22 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -104.93 149.08 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 8.6 m170 -97.34 128.3 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD12 HD23 ' A' ' 43' ' ' LEU . 1.9 tp -113.5 128.61 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -128.21 -162.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' H ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 17.9 ptt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.912 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.7 mt-30 -91.15 158.78 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 2' ' ' GLN . 5.8 mt -143.42 136.42 27.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -104.27 128.93 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.5 108.29 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -99.01 139.97 33.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -96.44 -164.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -3.44 36.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 2.0 p -102.61 -59.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . 159.94 -38.06 0.46 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 124.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -108.35 115.35 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.98 134.61 34.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -107.21 123.76 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.95 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 4.3 mp0 -111.95 120.22 41.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB3' ' OD2' ' A' ' 21' ' ' ASP . 50.2 mt -148.52 176.63 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -113.92 158.69 38.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 30.3 Cg_endo -63.3 -18.23 63.81 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.623 2.215 . . . . 0.0 112.202 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.49 -15.82 57.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 17' ' ' LEU . 67.0 m-20 -67.97 162.53 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 55' ' ' THR . 13.2 p -117.13 161.02 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 76.5 t -47.94 -37.96 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.53 -46.4 66.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.409 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.22 -52.43 62.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.0 tp -50.55 -48.39 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.228 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 17.3 mmtt -57.71 -47.51 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.35 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.48 23.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.16 -48.3 80.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.439 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.971 HD12 ' OE1' ' A' ' 41' ' ' GLN . 7.7 mt -58.29 -23.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 12.4 tt0 -90.52 -22.82 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.686 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -5.0 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -120.73 -62.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -90.17 -15.31 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 69.08 38.19 83.37 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.0 mt -102.21 130.88 23.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.3 Cg_exo -60.92 149.22 89.72 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.587 2.191 . . . . 0.0 112.041 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 38.9 Cg_exo -59.97 -36.56 89.56 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.928 2.419 . . . . 0.0 112.614 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.22 0.64 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.335 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -116.35 6.36 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.971 ' OE1' HD12 ' A' ' 30' ' ' ILE . 29.0 mt-30 -107.05 92.2 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.255 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.5 ttm180 -96.11 92.04 6.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.333 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 50' ' ' LEU . 5.7 mt -89.6 121.06 31.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 47' ' ' GLY . 19.4 mm -111.39 71.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.961 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' CE2' ' OD1' ' A' ' 60' ' ' ASN . 41.8 t80 -52.1 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.32 25.85 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 113.42 -1.53 25.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.73 119.81 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -87.45 96.88 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 43' ' ' LEU . 17.3 mt -55.56 118.14 4.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.3 mt-10 -109.55 110.14 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -34.9 132.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.1 -32.46 5.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.22 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -89.95 148.38 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.76 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 22' ' ' THR . 30.6 p -92.41 154.33 18.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.98 -39.54 59.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -70.37 -17.42 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 77.4 m-20 -81.7 -10.3 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 34.2 m-85 -107.24 -86.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.77 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 42.5 p-10 173.03 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -79.25 114.37 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.37 175.98 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 1.0 OUTLIER -64.63 116.45 6.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 32.8 mt-10 64.79 81.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -121.03 164.0 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -103.68 135.85 44.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.796 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.534 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 8.2 mt -129.43 142.27 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.89 100.31 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.3 tt -82.86 97.84 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.7 t -97.76 158.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.874 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.164 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ttp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -78.75 155.82 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.8 mt -139.52 143.17 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -111.6 113.72 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' THR . 22.3 t -104.32 120.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.83 145.06 29.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' LYS . 33.0 p -110.0 167.35 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 70' ' ' VAL . 9.7 mp -58.81 -20.37 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -95.56 -1.18 51.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.92 -34.74 4.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 7' ' ' THR . 25.0 tptt -42.18 100.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.3 m -101.01 120.73 40.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -110.19 148.94 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 17.6 m -119.5 147.17 44.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.77 175.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.5 121.9 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.035 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 29' ' ' LYS . 9.1 tp -150.19 160.68 43.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -99.24 156.27 35.62 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.7 Cg_endo -64.25 -20.92 67.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.821 2.347 . . . . 0.0 112.289 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -73.74 -15.99 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' OD1' ' HG ' ' A' ' 17' ' ' LEU . 2.4 m-20 -66.07 160.56 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -110.87 162.85 14.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 99.0 t -48.17 -48.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -43.53 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.41 -56.44 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.1 tp -50.02 -55.47 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' NZ ' HD12 ' A' ' 43' ' ' LEU . 39.3 mttp -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.471 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HE3' HD13 ' A' ' 17' ' ' LEU . 4.5 mmtt -62.56 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.757 HD12 ' OE1' ' A' ' 41' ' ' GLN . 62.3 mt -61.9 -19.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.9 tt0 -82.61 -30.45 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -3.6 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -115.37 -59.3 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.068 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 10.7 mm-40 -99.95 12.14 37.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.1 38.09 38.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.755 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.601 HG22 ' HG3' ' A' ' 41' ' ' GLN . 3.1 mt -106.45 124.8 34.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 90.8 Cg_endo -80.91 150.12 18.14 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.892 2.395 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.2 Cg_exo -59.83 -31.09 93.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.833 2.355 . . . . 0.0 112.185 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 5.0 p-10 -67.52 -26.42 66.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.0 mt-30 -108.94 7.54 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.757 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.5 mt-30 -100.25 127.11 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 70' ' ' VAL . 52.7 mtp85 -131.84 92.64 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.596 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 27' ' ' LYS . 8.2 mt -89.33 134.17 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 70' ' ' VAL . 1.8 mt -128.91 109.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -113.25 127.92 56.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.54 29.74 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.213 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 21.38 68.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.73 110.33 16.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 104.01 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 11.0 mt -52.23 122.98 9.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -97.9 118.15 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -49.37 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.64 -18.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.33 160.61 14.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 p -90.05 159.56 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.4 mt -59.06 -40.4 85.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -26.19 64.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' THR . 97.6 m-20 -67.3 -8.65 33.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 89.4 m-85 -117.65 27.14 9.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 p30 40.26 41.06 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.2 mt -67.04 161.87 23.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -147.44 166.22 27.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -43.08 141.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 41.63 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -105.28 156.72 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -116.67 95.05 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.09 144.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.37 103.01 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 41' ' ' GLN . 7.3 tp -79.76 118.68 21.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -110.66 152.53 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 ttp . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.862 0.363 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.71 110.79 22.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -111.62 163.93 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CD1' HG23 ' A' ' 14' ' ' THR . 16.1 m-30 -119.15 160.77 21.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -149.03 96.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 14.3 ptmt -89.86 157.87 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -122.89 -167.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.02 4.12 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 14.9 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.23 11.22 70.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 3.8 tttp -87.02 122.75 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -104.63 114.88 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.06 160.81 14.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 4' ' ' PHE . 33.6 m -147.27 119.77 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.57 165.34 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.18 107.73 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD21 ' HG3' ' A' ' 29' ' ' LYS . 1.1 mt -129.48 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -114.38 150.78 44.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 16.5 Cg_endo -57.73 -21.28 47.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.811 2.341 . . . . 0.0 112.206 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.9 p -76.75 -15.6 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.6 m-20 -68.23 165.37 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -124.96 163.4 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG12 ' HD2' ' A' ' 27' ' ' LYS . 77.5 t -44.43 -49.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -48.39 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.719 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 29.7 m120 -56.99 -55.31 36.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 tp -45.75 -53.05 10.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.366 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' HG12 ' A' ' 23' ' ' VAL . 6.3 mttt -55.53 -44.65 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.256 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -50.13 -38.37 38.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.685 ' HG3' HD21 ' A' ' 17' ' ' LEU . 4.2 mmmt -66.48 -46.81 75.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.253 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.13 -20.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 8.7 tt0 -83.55 -30.41 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.591 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -9.67 46.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -105.54 -67.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 6.2 mm-40 -89.84 5.74 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 37.24 87.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 8.2 mt -112.85 137.61 21.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 78.6 Cg_endo -78.73 149.63 23.59 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.637 2.225 . . . . 0.0 111.885 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.1 Cg_exo -56.49 -33.16 91.78 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 2.295 . . . . 0.0 112.537 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.84 4.84 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.612 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.559 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 88.0 mt-30 -124.71 3.79 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.642 0.258 . . . . 0.0 111.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -119.41 128.94 54.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.361 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.615 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -117.21 122.12 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 26' ' ' LEU . 7.5 mt -112.96 130.43 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -126.36 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -80.18 121.84 26.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.84 29.85 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.87 -8.07 80.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -91.65 121.55 33.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 103.28 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 43' ' ' LEU . 14.9 mt -45.17 130.49 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -100.92 113.85 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 53.9 t0 -54.51 90.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.27 -24.18 0.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 166.79 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 59.9 p -92.17 170.98 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 61' ' ' LEU . 5.6 mt -68.28 -51.34 46.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.765 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -16.83 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' THR . 37.8 m-20 -70.21 -16.67 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ASN . 57.7 m-85 -111.42 36.54 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER 36.98 34.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 56' ' ' LEU . 3.7 mt -69.23 118.68 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -94.04 -175.4 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -71.42 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 66.75 73.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.2 m -104.75 146.36 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -98.45 107.19 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.9 mt -101.49 131.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.0 m170 -90.44 117.57 29.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -98.76 130.34 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -120.62 137.95 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.31 147.85 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD22 HD12 ' A' ' 61' ' ' LEU . 16.4 mt -138.81 129.21 25.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 5.6 m-30 -92.65 139.6 30.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -135.6 144.1 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -130.45 153.53 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -117.16 -156.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.73 14.24 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -118.11 -8.74 10.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.49 80.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.563 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -81.67 126.67 32.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.3 129.24 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -111.8 158.83 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.7 m -132.61 114.18 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 m -122.84 157.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.7 108.06 17.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -138.54 147.08 42.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.1 mm-40 -92.06 156.96 41.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 29.4 Cg_endo -63.11 -13.79 37.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.051 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 p -85.48 -29.34 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' THR . 13.0 m-20 -56.9 158.16 5.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.778 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.4 p -109.45 159.63 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 111.124 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 98.2 t -44.88 -47.37 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.4 -49.25 18.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.2 m120 -58.05 -49.81 75.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 8.6 tp -49.61 -50.15 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -54.48 -42.87 71.2 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.261 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -53.66 -43.12 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.221 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -39.79 91.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.184 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.876 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.8 mt -66.39 -22.83 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.554 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 53.9 tt0 -88.24 -31.12 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -11.42 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -114.16 -63.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.83 -20.91 22.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 73.35 43.4 38.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.62 132.27 21.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 39.7 Cg_exo -57.1 147.13 77.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.825 2.35 . . . . 0.0 112.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 32.5 Cg_exo -58.02 -49.27 13.23 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.85 2.367 . . . . 0.0 112.369 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 -3.37 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.561 ' OE1' HD21 ' A' ' 71' ' ' LEU . 3.6 mt-30 -104.47 10.87 35.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.876 ' OE1' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -124.73 120.87 33.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.886 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -107.78 101.73 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.91 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 mt -89.84 103.44 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.17 83.47 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CD1' HG13 ' A' ' 67' ' ' ILE . 14.1 t80 -82.84 121.14 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.32 11.29 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.35 -18.41 35.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.384 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 137.95 32.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' O ' ' OE1' ' A' ' 51' ' ' GLU . 27.0 tt0 -89.41 127.63 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.91 HD12 ' HB2' ' A' ' 43' ' ' LEU . 8.6 mt -69.98 139.05 52.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 49' ' ' GLN . 2.6 mp0 -97.61 130.52 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -61.04 104.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.41 -8.5 4.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -99.54 152.42 20.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 18.1 p -90.14 145.62 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 7.0 mt -50.08 -35.49 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -72.16 -12.44 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' THR . 84.9 m-20 -85.53 -5.95 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.075 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 18.6 m-85 -113.61 -78.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 p-10 163.41 41.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -84.03 119.9 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -99.95 176.51 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 117.56 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.0 76.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.4 m -108.83 -175.48 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.408 ' C ' HD12 ' A' ' 67' ' ' ILE . 33.8 m -128.89 133.02 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.9 mp -136.57 138.93 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 68' ' ' HIS . 11.3 m170 -90.19 112.6 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 69' ' ' LEU . 4.4 tt -99.07 105.64 17.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.535 ' CG2' ' HB3' ' A' ' 42' ' ' ARG . 29.2 m -112.21 142.91 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD21 ' OE1' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -66.05 146.23 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 119.1 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -92.33 137.93 31.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mpp_? -37.71 150.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.05 -70.7 0.49 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.491 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -112.41 150.59 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.33 164.82 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -111.4 139.31 46.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.12 118.9 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -115.37 145.24 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -96.14 177.87 5.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -13.65 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.31 -17.92 26.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 117.21 -41.31 2.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.273 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -36.65 132.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -129.94 143.97 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' OE2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -136.88 164.01 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -123.18 128.52 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.12 163.58 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.228 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.57 113.63 18.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 21' ' ' ASP . 10.4 mt -141.97 175.09 10.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 1.5 mm-40 -107.42 158.12 33.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 36.2 Cg_endo -65.06 -14.23 44.12 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.77 2.313 . . . . 0.0 112.248 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.9 m-20 -50.34 166.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 3.0 p -118.35 161.22 20.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 51' ' ' GLU . 3.2 t -51.04 -39.53 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -42.68 76.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.505 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.51 -59.51 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.673 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -48.65 -54.4 14.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 14.7 mmtt -55.56 -50.83 68.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.541 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.37 -45.62 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.728 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -42.92 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 5.8 mt -62.24 -19.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.019 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.4 tt0 -88.6 -27.56 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -31.51 16.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -90.95 -52.44 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.492 ' OE2' ' CD2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -89.84 -9.34 49.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 68.64 22.6 75.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.614 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.7 mt -110.76 117.33 50.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.207 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 29.6 Cg_exo -61.81 153.23 69.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.742 2.295 . . . . 0.0 112.191 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 41.8 Cg_endo -67.82 -28.92 35.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.86 -17.0 60.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 21.85 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 29.6 mt-30 -100.92 122.68 43.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.7 ttt180 -117.67 90.83 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 50' ' ' LEU . 15.1 mt -91.05 131.75 36.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 47' ' ' GLY . 71.0 mt -137.29 93.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -74.55 107.25 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.22 23.29 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.036 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 108.58 -10.13 35.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -91.21 109.78 21.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -74.68 120.96 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 43' ' ' LEU . 24.4 mt -68.41 140.93 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.769 ' O ' HG21 ' A' ' 23' ' ' VAL . 3.7 mt-10 -111.61 133.56 53.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.35 146.86 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.11 -16.29 48.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.561 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -89.67 149.58 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.805 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.523 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 43.6 p -89.74 166.79 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 9.2 mt -67.44 -50.19 60.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -60.26 -27.32 67.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 28.5 m-20 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 65.7 m-85 -93.14 21.22 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER 41.96 70.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' O ' ' OE1' ' A' ' 62' ' ' GLN . 1.2 mm? -93.32 179.3 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 19.7 mm100 -143.52 164.32 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 139.05 56.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.99 71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.8 m -112.77 135.32 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -127.13 131.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -92.52 114.94 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -103.45 131.33 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.05 141.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.081 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.72 134.72 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -47.88 148.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.09 18.6 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -171.91 132.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.08 45.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.51 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.72 160.24 18.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.736 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.2 mt -145.92 140.77 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -102.19 126.41 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 30' ' ' ILE . 32.3 t -118.63 99.11 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -93.77 139.73 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -99.86 -164.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -82.58 -12.3 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -90.5 -30.19 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.93 14.6 7.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -90.59 110.2 21.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 m -98.31 114.73 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.066 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.29 132.92 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -107.69 96.16 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.11 159.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -116.72 112.67 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.724 HD21 ' CE ' ' A' ' 29' ' ' LYS . 3.8 mt -144.63 177.76 8.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -111.45 156.26 41.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 19.8 Cg_endo -58.24 -22.97 59.89 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.806 2.338 . . . . 0.0 112.108 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -75.28 -35.77 61.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.744 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HB2' HD12 ' A' ' 56' ' ' LEU . 16.4 m-20 -46.11 149.06 0.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG22 ' A' ' 55' ' ' THR . 34.1 p -99.39 157.21 16.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 54' ' ' ARG . 62.0 t -46.97 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' CG ' ' OD1' ' A' ' 52' ' ' ASP . 2.7 mt-10 -58.6 -51.55 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.457 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -55.07 -48.26 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.323 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -55.96 -55.01 37.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.46 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HD2' HG12 ' A' ' 23' ' ' VAL . 15.2 mttp -52.78 -40.85 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.7 -46.04 74.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.547 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.724 ' CE ' HD21 ' A' ' 17' ' ' LEU . 3.3 mptp? -57.45 -45.57 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.318 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.687 ' CG2' HD12 ' A' ' 36' ' ' ILE . 6.1 mt -68.45 -17.99 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -90.26 -35.91 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.645 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.96 5.52 40.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -126.62 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -103.29 -10.8 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.61 32.28 67.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.371 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.687 HD12 ' CG2' ' A' ' 30' ' ' ILE . 1.8 mt -100.12 125.97 38.04 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.228 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 85.4 Cg_endo -79.72 142.21 15.89 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.819 2.346 . . . . 0.0 112.526 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 58.1 Cg_exo -52.28 -22.36 15.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.889 2.393 . . . . 0.0 112.348 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -47.65 79.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.6 mt-30 -93.43 0.44 56.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.177 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.0 mt-30 -89.75 106.54 18.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.337 . . . . 0.0 111.208 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 15.1 mtp180 -110.86 103.06 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.6 mt -90.08 127.09 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 43' ' ' LEU . 5.1 mm -126.17 99.79 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 45.5 t80 -99.35 121.05 40.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.11 30.75 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.53 22.43 53.8 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.526 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -121.24 123.21 41.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.47 113.14 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 43' ' ' LEU . 9.5 mt -66.42 148.43 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -129.05 134.06 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 24' ' ' GLU . 12.2 t0 -47.47 114.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.95 -25.68 3.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.585 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.89 148.43 22.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 36.9 p -90.08 157.65 17.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 21' ' ' ASP . 22.2 mt -59.42 -42.78 92.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 48.0 t -61.22 -32.48 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.78 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 91.6 m-20 -57.87 -29.77 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 50' ' ' LEU . 85.1 m-85 -92.8 23.21 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.95 42.21 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.534 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mt -75.24 125.44 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -95.76 -174.85 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -71.11 139.0 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 50.34 68.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -92.97 174.73 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.776 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.4 m -126.47 101.82 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.43 146.48 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.82 110.52 22.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tt -88.03 115.38 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -109.68 150.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.059 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.679 ' N ' HD22 ' A' ' 71' ' ' LEU . 1.8 mm? -96.9 125.99 41.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -35.53 150.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.961 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -34.66 146.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.044 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.88 -179.23 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.69 63.21 5.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.2 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.97 99.83 10.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.6 mt -96.34 163.55 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 m-85 -113.96 158.98 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 64.5 t -143.13 105.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 16.5 ptmt -95.84 151.02 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.55 -176.38 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -85.04 -7.63 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -96.63 -44.45 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.35 38.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 106.44 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 23.5 m -103.08 125.72 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HG ' ' HB ' ' A' ' 5' ' ' VAL . 1.7 pp -115.48 -173.31 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -147.77 139.25 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -142.56 152.76 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.28 103.31 15.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' OD2' ' A' ' 21' ' ' ASP . 13.5 mt -132.53 140.54 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.52 151.5 41.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 57' ' ' SER . 75.0 Cg_exo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 p -65.64 -40.55 92.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.613 ' OD2' HD22 ' A' ' 17' ' ' LEU . 2.0 m-20 -45.68 155.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 161.97 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 43' ' ' LEU . 22.3 t -46.36 -37.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -59.67 -50.25 74.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -53.34 -44.54 68.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 HD13 ' A' ' 43' ' ' LEU . 10.1 tp -56.96 -52.82 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.611 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD3' ' CA ' ' A' ' 38' ' ' PRO . 18.9 mttt -58.32 -50.72 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.07 -45.88 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.801 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -62.2 -47.5 84.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.539 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 69' ' ' LEU . 63.6 mt -58.48 -19.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 13.2 tt0 -82.41 -35.8 27.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -11.64 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 -61.31 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.55 -8.61 52.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 70.3 32.59 68.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.425 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 12.3 mt -121.97 120.23 28.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 111.263 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 32.2 Cg_exo -58.17 153.26 47.07 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 112.101 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' CA ' ' HD3' ' A' ' 27' ' ' LYS . 52.2 Cg_exo -54.88 -43.21 61.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 40' ' ' GLN . 11.1 m-20 -68.68 -22.65 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -89.8 9.41 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -142.51 144.75 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.0 111.011 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -126.03 122.66 36.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.795 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.789 HD13 HD23 ' A' ' 26' ' ' LEU . 1.7 mt -92.96 126.19 37.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mm -129.87 108.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -114.64 124.43 51.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.91 37.96 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.23 9.26 67.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.33 107.13 14.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -65.67 133.37 50.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 43' ' ' LEU . 5.3 mt -68.83 134.25 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.6 118.29 36.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -46.67 143.68 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.3 -15.58 62.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.578 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -92.48 167.26 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.507 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 70.6 p -105.72 153.13 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -61.16 -38.5 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 38.9 t -59.76 -23.7 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 69.7 m-20 -70.84 -32.47 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 55.9 m-85 -98.66 33.18 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 6.6 p30 41.94 62.0 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -91.22 111.63 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.05 -177.73 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 135.68 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 74.89 40.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -82.78 165.98 19.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 67' ' ' ILE . 50.0 m -126.64 118.26 24.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.5 mp -113.57 127.47 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.496 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.5 m170 -90.08 112.68 24.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 30' ' ' ILE . 8.3 tt -95.09 116.17 28.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.15 143.07 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.3 tm? -72.2 64.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER 40.74 96.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 70' ' ' VAL . 62.7 mt -85.39 -176.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.38 73.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.52 104.78 0.61 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.513 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.627 ' CE ' HD21 ' A' ' 3' ' ' LEU . 8.4 ttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -100.1 152.15 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.627 HD21 ' CE ' ' A' ' 1' ' ' MET . 2.6 mt -140.7 145.97 37.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 65' ' ' SER . 40.8 m-85 -114.58 128.51 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.57 115.56 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -99.8 153.24 19.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 19.9 p -109.75 -175.43 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 15.65 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -126.09 13.12 7.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.42 -11.16 56.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 126.41 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -125.2 130.09 51.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 14' ' ' THR . 2.2 pp -109.59 169.36 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 13' ' ' LEU . 24.4 m -134.98 122.93 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.779 ' HB ' HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.91 153.81 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.0 mt-10 -128.83 107.22 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.838 ' N ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -148.77 168.68 22.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -91.36 149.9 40.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 79.6 Cg_exo -46.78 -22.42 1.9 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.238 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 p -67.58 -39.71 84.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.74 157.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 15.7 p -115.26 169.08 9.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 54' ' ' ARG . 57.9 t -49.53 -29.66 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.736 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -45.52 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.545 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 16.3 m120 -62.24 -52.82 62.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.449 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 15' ' ' VAL . 23.0 tp -54.1 -47.32 71.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.4 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 27.0 mttm -63.79 -52.07 61.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 -44.76 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD3' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.52 -48.47 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.51 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.625 HD13 HD12 ' A' ' 69' ' ' LEU . 36.7 mt -59.8 -19.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.818 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.0 tt0 -89.59 -33.77 16.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.29 -11.69 40.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.8 mttp -104.86 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 mm-40 -89.98 -12.27 39.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 74.97 27.71 63.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.411 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 41' ' ' GLN . 56.8 mt -104.59 133.14 20.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 87.2 Cg_endo -81.18 147.87 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 45.3 Cg_exo -56.07 -21.19 33.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -24.54 55.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 38.0 mt-30 -113.97 3.97 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 36' ' ' ILE . 5.9 mt-30 -89.87 108.29 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.073 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 7.1 ttt180 -105.53 98.95 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 44.1 mt -89.94 118.48 29.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 43' ' ' LEU . 19.1 mm -123.37 102.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -103.32 110.44 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.23 40.57 27.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -9.46 57.12 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 120.21 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -86.37 112.46 21.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.9 mt -57.94 146.73 31.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -114.51 128.62 56.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 103.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.75 -13.52 3.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -94.74 160.44 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HG1' ' CG ' ' A' ' 58' ' ' ASP . 32.8 p -95.2 163.89 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 3' ' ' LEU . 5.8 mt -66.12 -54.4 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 1.3 t -50.61 -37.55 40.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' HG1' ' A' ' 55' ' ' THR . 83.2 m-20 -48.17 -29.7 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CE2' HD22 ' A' ' 50' ' ' LEU . 73.9 m-85 -93.05 26.34 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 38.81 33.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.17 160.9 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.09 178.05 6.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.87 133.07 55.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 46.95 84.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 69.3 m -104.85 172.37 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.9 m -122.32 107.71 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.7 mp -112.82 140.55 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -93.83 129.16 40.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 30' ' ' ILE . 7.7 tt -107.9 116.63 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.22 144.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 123.95 29.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ARG . 8.0 ttm180 -40.38 113.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 tp -38.63 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' ARG . 1.3 ttt180 -61.67 -39.23 90.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 -80.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.539 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 3' ' ' LEU . 4.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -97.8 101.18 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 1' ' ' MET . 23.4 mt -99.38 140.04 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.39 133.7 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.35 101.24 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 5.8 ptpt -98.86 174.93 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -133.81 -161.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 70' ' ' VAL . 11.1 mt -87.64 -19.52 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -89.97 -8.35 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -43.23 1.73 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.85 115.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 6' ' ' LYS . 52.0 m -123.68 125.38 44.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD22 ' OE1' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -102.81 149.82 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 m -108.47 128.74 55.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 13' ' ' LEU . 3.4 m -132.21 158.55 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.7 117.74 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 1' ' ' MET . 4.8 mt -136.59 -174.69 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -129.36 152.03 78.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.83 -22.1 6.77 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.203 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.56 -39.5 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -41.51 151.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 55' ' ' THR . 66.9 p -113.82 170.58 8.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 43' ' ' LEU . 75.4 t -47.5 -43.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -53.71 -44.45 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 18.6 m120 -58.99 -54.45 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.571 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 43' ' ' LEU . 12.1 tp -50.04 -54.87 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.486 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 68.8 mttt -59.12 -42.89 91.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.403 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.75 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 1.7 mmmt -73.76 -44.65 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.68 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.819 HD12 ' OE1' ' A' ' 41' ' ' GLN . 15.0 mt -58.0 -30.3 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.0 tt0 -81.14 -26.41 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -7.73 52.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 15' ' ' VAL . 1.5 mttm -118.49 -52.82 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.996 ' OE1' HD22 ' A' ' 13' ' ' LEU . 1.8 mp0 -102.65 14.26 32.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.76 32.46 4.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -98.17 125.85 42.15 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 95.5 Cg_endo -79.82 142.62 15.97 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.794 2.33 . . . . 0.0 112.404 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 35.7 Cg_exo -59.7 -23.45 71.71 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -64.83 -21.92 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 2.5 mt-30 -125.98 21.07 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.819 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.2 mt-30 -94.85 123.58 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 70' ' ' VAL . 1.4 tpp180 -112.87 94.39 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 26' ' ' LEU . 22.5 mt -89.83 115.92 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.88 123.34 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.056 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' CE2' HD23 ' A' ' 61' ' ' LEU . 10.5 t80 -126.88 126.77 43.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.52 42.26 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.25 32.04 75.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.87 109.51 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 44.5 tt0 -72.98 137.04 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.67 154.08 34.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -113.67 119.13 36.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.08 103.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 141.51 -12.79 2.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -103.28 168.4 9.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 HG22 ' A' ' 22' ' ' THR . 45.8 p -96.81 164.96 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' A' ' 61' ' ' LEU . 5.8 mt -67.55 -38.93 84.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -45.63 77.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -47.82 -28.92 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 88.8 m-85 -98.11 19.83 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.8 p-10 45.65 45.89 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 56' ' ' LEU . 47.4 mt -77.67 117.35 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -98.29 173.74 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.2 tttm -68.59 119.6 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER 84.24 77.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -121.28 144.64 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -103.11 93.36 4.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.453 HG13 ' CD1' ' A' ' 45' ' ' PHE . 3.5 mp -94.97 141.35 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -95.88 117.74 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 43' ' ' LEU . 3.2 tp -104.28 115.36 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -103.79 154.92 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.023 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.42 111.16 23.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.64 102.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 1.3 mt -71.4 -14.68 62.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 1.4 mtt180 157.75 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.15 14.58 18.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.521 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -84.83 156.83 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -140.05 120.86 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -94.03 105.77 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.6 t -101.16 103.32 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.77 148.89 24.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -115.5 -167.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.17 2.13 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -100.39 -4.67 28.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 -16.26 53.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 2.6 tttm -64.52 136.05 56.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -113.6 122.15 46.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.85 HD11 ' OE1' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -98.64 130.34 45.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 2' ' ' GLN . 55.0 m -109.32 103.19 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.66 150.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.72 107.49 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 56' ' ' LEU . 1.3 tp -139.69 144.48 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 1.8 mp0 -90.74 153.49 45.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' O ' ' OG ' ' A' ' 57' ' ' SER . 51.0 Cg_exo -52.96 -36.83 77.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.608 2.205 . . . . 0.0 112.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -57.65 -35.15 70.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.8 m-20 -54.22 153.04 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -108.1 162.47 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 66.7 t -50.1 -30.18 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.995 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -49.86 73.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -59.28 -53.27 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -47.41 -52.14 17.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HE2' HD12 ' A' ' 43' ' ' LEU . 17.1 mmtt -54.37 -53.8 49.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.506 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.66 -52.91 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.683 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -55.65 -43.99 76.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.739 HD12 ' OE1' ' A' ' 41' ' ' GLN . 56.8 mt -62.96 -19.12 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.932 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.8 tt0 -90.13 -22.98 21.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.42 -8.88 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -118.7 -54.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.85 ' OE1' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -97.25 9.66 41.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 48.39 31.61 9.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.533 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG13 ' CB ' ' A' ' 34' ' ' GLU . 2.9 mt -99.68 123.07 49.12 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.357 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 97.1 Cg_endo -80.91 149.6 17.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.746 2.297 . . . . 0.0 112.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 22.1 Cg_endo -61.6 -22.14 73.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.232 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.32 -25.64 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.478 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -115.89 6.59 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.739 ' OE1' HD12 ' A' ' 30' ' ' ILE . 10.6 mt-30 -93.66 123.99 37.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -119.61 91.61 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.629 HD12 ' HE2' ' A' ' 27' ' ' LYS . 10.4 mt -89.84 134.26 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -137.05 118.19 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -105.35 118.14 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.77 45.24 27.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.03 20.7 74.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 97.07 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.89 130.91 47.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD22 ' CD2' ' A' ' 59' ' ' TYR . 17.5 mt -78.17 157.82 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -125.7 121.65 34.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 9.9 t70 -47.41 146.9 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.41 -19.44 50.33 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.96 153.44 20.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.444 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 55.3 p -90.59 131.91 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 17' ' ' LEU . 54.3 mt -46.24 -29.77 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.813 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -69.93 -19.62 63.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 19.7 m-20 -71.2 -18.87 62.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.52 ' CD2' HD22 ' A' ' 50' ' ' LEU . 58.9 m-85 -101.38 31.09 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' TYR . 1.4 p-10 37.0 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 1.1 mt -64.11 133.3 52.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -98.14 -173.46 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 142.49 46.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 45.33 53.29 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -76.62 161.3 28.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.6 m -108.01 110.0 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.12 142.35 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 3.7 m170 -99.76 108.2 20.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 tp -96.46 117.23 30.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -121.63 150.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 160.77 17.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.755 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -103.77 130.74 51.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -104.92 167.13 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 128.21 23.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.37 -111.99 3.37 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.3 ptt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.32 134.98 48.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 1' ' ' MET . 11.2 mt -134.7 140.19 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.84 115.51 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.16 107.3 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 12.3 ptmm? -92.95 143.4 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -103.32 -170.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.1 -3.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.4 p -103.56 25.24 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.97 44.87 72.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 1.7 ttpt -120.04 124.23 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.789 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.05 117.54 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 15' ' ' VAL . 1.9 tp -106.34 129.65 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 13' ' ' LEU . 3.6 m -108.61 112.64 25.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 13' ' ' LEU . 2.6 m -122.41 148.39 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 125.58 51.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.911 HD23 ' OD2' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.17 -169.44 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 0.3 OUTLIER -132.76 147.31 65.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.72 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 58.1 Cg_exo -51.38 -18.13 5.06 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.299 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -74.46 -28.07 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.911 ' OD2' HD23 ' A' ' 17' ' ' LEU . 46.1 m-20 -68.83 151.86 46.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 25.2 p -108.6 159.91 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 78.1 t -41.22 -47.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -45.59 -57.54 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.702 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.79 -54.08 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.549 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 17' ' ' LEU . 22.9 tp -49.74 -37.02 27.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 26.8 mttt -66.81 -49.23 66.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.432 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -38.02 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -69.98 -44.87 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.522 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 HD12 ' OE1' ' A' ' 41' ' ' GLN . 4.5 mt -63.27 -18.42 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.985 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 35.0 tt0 -83.65 -40.25 19.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 6.38 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE3' HG12 ' A' ' 15' ' ' VAL . 21.8 mttm -120.57 -67.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.57 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 42.54 95.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.498 ' HB ' HG22 ' A' ' 30' ' ' ILE . 61.2 mt -112.36 119.47 43.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.3 Cg_exo -60.54 136.22 65.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.82 2.347 . . . . 0.0 112.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -58.8 -28.54 87.26 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.258 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -17.22 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.026 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' HG3' ' A' ' 72' ' ' ARG . 24.1 mt-30 -119.07 21.11 12.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.559 ' OE1' HD12 ' A' ' 30' ' ' ILE . 37.3 mt-30 -100.34 100.2 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 ttm-85 -98.93 99.82 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.683 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.812 HD13 HD12 ' A' ' 50' ' ' LEU . 45.5 mt -89.71 123.34 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 44' ' ' ILE . 11.7 mt -121.85 74.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' ' HG ' ' A' ' 61' ' ' LEU . 15.1 t80 -75.04 116.52 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 40.48 30.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.94 -10.0 49.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -92.05 120.53 32.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -80.34 105.46 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.812 HD12 HD13 ' A' ' 43' ' ' LEU . 21.0 mt -50.2 151.37 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -127.23 116.89 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 10.3 t70 -43.86 138.94 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.24 9.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.556 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 158.14 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 3.9 p -94.44 160.58 14.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 19.4 mt -58.79 -43.67 90.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -54.9 -38.83 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.882 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 16.7 m-20 -50.78 -35.53 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ASN . 96.4 m-85 -92.91 34.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' TYR . 12.8 p30 36.5 45.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -80.99 122.09 26.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' LYS . 1.1 mt-30 -102.89 137.67 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -38.33 124.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mm-40 84.14 72.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -134.08 151.94 51.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -96.93 147.1 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -140.73 129.97 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 2.2 m170 -92.98 103.69 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 43' ' ' LEU . 65.4 tp -91.16 105.66 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -103.09 152.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.88 151.45 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.83 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -72.58 75.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' ARG . 12.5 mt 36.16 42.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 74' ' ' ARG . 11.7 ttt-85 45.8 92.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.99 -166.18 36.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.501 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.649 ' SD ' HD21 ' A' ' 3' ' ' LEU . 1.6 tmm? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.87 0.367 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.38 154.44 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.649 HD21 ' SD ' ' A' ' 1' ' ' MET . 39.7 mt -135.88 129.55 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 5.3 m-30 -96.9 108.44 21.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.5 t -103.88 101.91 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.7 147.76 22.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 p -105.91 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.023 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD21 HG13 ' A' ' 70' ' ' VAL . 4.0 mm? -77.65 -12.51 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -90.74 -13.16 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.12 -52.19 0.65 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -38.98 130.89 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -113.64 133.91 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 13' ' ' LEU . 6.8 mt -96.14 160.03 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -133.46 105.52 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.84 147.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 113.95 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' CG ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -135.3 -178.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.031 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mm-40 -122.87 160.62 48.4 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.628 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 38.1 Cg_endo -66.55 -5.51 13.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.558 2.172 . . . . 0.0 112.22 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -89.26 -23.8 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.817 ' CG ' HD23 ' A' ' 17' ' ' LEU . 28.9 m-20 -67.64 170.06 8.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.788 0.327 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 55' ' ' THR . 2.2 p -125.21 166.19 16.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 66.8 t -45.99 -47.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -51.8 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -57.1 -54.97 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.1 tp -48.91 -55.09 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 41' ' ' GLN . 16.7 mttt -55.65 -52.51 63.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.5 -43.55 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HE3' HD11 ' A' ' 17' ' ' LEU . 10.4 mttt -66.72 -45.89 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.9 HD12 ' OE1' ' A' ' 41' ' ' GLN . 20.1 mt -56.38 -30.56 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.7 tt0 -75.63 -35.16 60.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.24 -6.25 56.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.71 -58.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' A' ' 36' ' ' ILE . 3.1 mm-40 -112.65 30.92 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 41.32 33.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.795 ' HB ' HG22 ' A' ' 30' ' ' ILE . 4.5 mt -98.43 109.23 51.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.218 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 16.7 Cg_exo -67.88 140.69 51.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.965 2.443 . . . . 0.0 112.269 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 39.1 Cg_exo -57.11 -29.38 83.0 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.719 2.279 . . . . 0.0 112.195 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.33 -32.72 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -109.5 25.12 12.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.9 ' OE1' HD12 ' A' ' 30' ' ' ILE . 27.5 mt-30 -104.32 125.31 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.184 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 70' ' ' VAL . 29.5 mtt180 -130.39 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 50' ' ' LEU . 7.1 mt -89.7 112.43 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' A' ' 49' ' ' GLN . 19.6 mm -101.88 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.12 115.27 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.63 22.88 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 44' ' ' ILE . . . 96.63 -6.04 64.84 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.654 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.53 135.09 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.536 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.2 tt0 -86.06 119.01 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.803 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 43' ' ' LEU . 15.5 mt -63.96 136.85 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -103.42 122.82 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.17 106.54 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.72 -8.9 4.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -100.91 150.16 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 22' ' ' THR . 47.1 p -91.16 145.92 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.9 mt -45.37 -40.67 8.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -62.55 -38.87 91.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 66.1 m-20 -54.84 -31.48 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 50' ' ' LEU . 27.2 m-85 -95.06 23.23 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p30 39.33 57.55 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -89.25 132.02 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -97.22 175.18 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 51.19 54.29 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' ' 61' ' ' LEU . 51.7 m -77.58 163.85 25.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -113.1 111.41 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.42 144.49 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 9.8 m170 -102.59 129.07 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 HD13 ' A' ' 30' ' ' ILE . 7.4 tt -102.43 118.22 36.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -118.64 150.55 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.951 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.05 141.08 29.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -43.43 104.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -87.3 90.64 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.809 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 141.28 48.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.84 -47.45 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.507 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.832 0.349 . . . . 0.0 111.234 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.35 138.98 47.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 17' ' ' LEU . 28.2 mt -138.93 136.3 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -95.04 134.43 37.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.62 103.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 15.2 ptmt -93.3 151.51 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -115.99 -172.45 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -88.88 19.82 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -118.15 -0.44 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 -6.8 82.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -83.05 138.45 33.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.935 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -119.17 120.05 35.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' OE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -97.08 171.54 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.3 m -144.85 109.0 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.88 155.56 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 18.9 mp0 -96.99 106.16 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD23 HD11 ' A' ' 56' ' ' LEU . 1.2 tp -136.11 143.51 44.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -96.39 163.65 20.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 57' ' ' SER . 36.4 Cg_endo -65.53 -16.52 54.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.2 p -85.21 -18.32 34.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 169.97 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -122.47 160.31 25.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 94.6 t -50.72 -35.25 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -44.3 89.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.2 m120 -64.01 -47.13 81.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 tp -50.72 -57.14 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' GLN . 14.1 mttt -58.94 -35.39 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.628 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -57.69 -38.17 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -72.26 -42.06 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.016 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.0 mt -62.88 -25.86 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 1.3 tt0 -86.36 -26.27 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -28.12 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -49.09 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' A' ' 11' ' ' LYS . 1.8 tt0 -94.11 -46.6 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 104.32 27.79 6.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 14.5 mm -99.92 130.88 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_exo -64.93 148.0 89.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 22.7 Cg_exo -63.97 -43.9 14.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.828 2.352 . . . . 0.0 112.256 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -64.44 -13.4 51.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -111.31 20.21 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 1.016 ' OE1' HD12 ' A' ' 30' ' ' ILE . 36.5 mt-30 -115.31 95.98 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.072 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -96.12 94.49 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.68 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.734 HD21 HD12 ' A' ' 69' ' ' LEU . 78.7 mt -89.61 125.63 35.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -117.64 78.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 68.6 t80 -79.88 118.81 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.55 46.77 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.97 33.49 84.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -132.89 111.14 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.726 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.67 101.79 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD12 HD12 ' A' ' 43' ' ' LEU . 22.5 mt -50.43 121.72 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.19 116.38 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -45.4 124.22 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.47 -24.52 6.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.531 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.45 162.27 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -95.65 155.36 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD11 HD23 ' A' ' 17' ' ' LEU . 15.5 mt -64.57 -27.73 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 2.2 t -65.77 -30.0 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CB ' HD23 ' A' ' 61' ' ' LEU . 39.4 m-85 -103.53 29.28 5.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 p30 41.84 32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -60.28 130.02 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -102.61 -171.78 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' CD ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -89.34 130.1 35.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' OE2' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mt-10 69.31 27.96 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -64.57 158.14 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -111.65 102.16 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.3 134.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.09 114.99 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD12 HD21 ' A' ' 43' ' ' LEU . 10.1 tt -103.96 124.07 48.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.776 HG23 ' HB2' ' A' ' 42' ' ' ARG . 26.7 m -114.54 135.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -86.86 62.66 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 33.58 64.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 101.13 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm-85 -139.57 144.97 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 89.36 1.01 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.483 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.798 0.332 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -84.04 123.56 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.01 156.98 19.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -122.71 101.34 7.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.77 127.27 42.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 7.3 ptmm? -115.34 127.41 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.515 HG22 HD12 ' A' ' 69' ' ' LEU . 65.7 p -89.89 -175.42 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -83.53 -3.47 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -90.88 17.01 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.05 17.66 68.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.605 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.26 142.74 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -127.65 113.79 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CD1' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -100.27 152.58 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.5 m -100.77 142.47 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.43 170.84 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.025 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -127.81 123.08 34.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD23 HD11 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -149.82 143.95 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -99.04 154.39 37.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.97 -27.41 16.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.823 2.348 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -72.16 -34.54 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-20 -50.12 158.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 55' ' ' THR . 60.3 p -119.58 155.56 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 40.8 t -42.46 -34.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -57.84 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.68 -49.61 56.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -49.19 -47.08 46.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.396 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -57.21 -43.69 83.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.481 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.68 -41.34 66.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.666 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -64.55 -41.37 96.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.89 HD12 ' OE1' ' A' ' 41' ' ' GLN . 81.1 mt -69.44 -17.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 19.0 tt0 -90.18 -26.17 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -32.33 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 -51.02 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -99.05 -46.27 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 95.6 36.06 5.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.416 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 mt -94.8 127.6 42.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -58.29 135.27 66.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.82 2.347 . . . . 0.0 112.218 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.7 Cg_exo -53.85 -39.01 85.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -33.83 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -92.37 9.38 34.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.89 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.9 mt-30 -95.74 92.74 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 ttt180 -96.25 94.07 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 80.2 mt -89.7 129.81 36.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -127.61 94.75 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -102.44 126.97 49.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.78 33.61 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.55 47.21 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 122.61 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.41 104.38 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.1 mt -43.96 121.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.08 117.71 33.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.6 115.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 123.03 -7.07 9.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.67 148.45 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 16.5 p -91.13 139.8 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 17' ' ' LEU . 7.3 mt -46.23 -36.4 6.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -16.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 92.0 m-20 -76.98 -20.73 55.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CE2' HD22 ' A' ' 50' ' ' LEU . 54.7 m-85 -109.5 28.43 8.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.22 54.75 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.5 mt -82.92 119.86 24.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' A' ' 65' ' ' SER . 44.0 mt-30 -107.12 163.35 13.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -48.7 136.96 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.73 89.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -128.56 155.17 45.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.87 119.3 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.23 133.2 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -95.46 108.09 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.821 HD22 ' N ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -93.99 129.08 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.821 ' N ' HD22 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -122.35 135.5 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.0 mm? -79.01 134.65 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -64.63 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' LEU . 8.7 mt 68.13 91.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -38.24 131.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.64 146.78 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.535 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 4.5 ptt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.2 mt-30 -95.99 143.51 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 17' ' ' LEU . 2.5 mt -133.58 152.89 51.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.29 145.22 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 12' ' ' THR . 35.8 t -135.02 112.02 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HD3' ' NE2' ' A' ' 68' ' ' HIS . 4.4 ptmt -105.12 166.99 10.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -121.87 -172.96 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt -70.16 -22.09 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.5 p -90.66 -29.46 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.17 4.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -41.79 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -111.63 142.59 43.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -110.06 153.38 24.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -144.51 152.55 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.92 100.95 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 3' ' ' LEU . 38.5 mt -133.21 157.29 45.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.2 mm-40 -108.38 157.73 35.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 19.1 Cg_endo -60.12 -16.33 39.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.733 2.289 . . . . 0.0 112.207 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 p -81.81 -23.49 36.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 55' ' ' THR . 87.7 m-20 -60.77 173.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.1 p -129.72 163.4 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 11.0 t -48.57 -29.79 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -48.85 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.23 -49.44 77.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.557 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.3 tp -59.93 -53.51 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' PRO . 15.8 mttt -49.91 -48.2 51.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.1 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -56.1 -36.31 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.565 HD12 ' OE1' ' A' ' 41' ' ' GLN . 21.9 mt -75.89 -20.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 63.0 tt0 -88.83 -22.14 23.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.33 -27.33 19.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.229 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -100.56 -52.13 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB2' HG12 ' A' ' 36' ' ' ILE . 1.8 mm-40 -89.81 -7.32 54.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 64.03 25.89 69.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.562 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 34' ' ' GLU . 3.8 mm -97.39 131.64 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HG2' ' HG3' ' A' ' 40' ' ' GLN . 98.7 Cg_endo -80.28 142.8 15.26 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 19.2 Cg_endo -59.0 -22.56 64.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.835 2.356 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.58 -36.44 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.53 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.6 mt-30 -102.35 3.14 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.565 ' OE1' HD12 ' A' ' 30' ' ' ILE . 8.6 mt-30 -91.71 130.32 37.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -129.21 101.33 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.68 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.68 118.95 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.488 HD11 ' HD3' ' A' ' 42' ' ' ARG . 39.6 mm -106.44 121.52 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 6.5 t80 -129.92 109.41 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.49 59.99 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.65 18.56 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.647 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 14.0 mttp -126.64 129.16 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG2' HD13 ' A' ' 44' ' ' ILE . 2.8 tm0? -86.65 126.46 34.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.44 130.26 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' O ' HG21 ' A' ' 23' ' ' VAL . 18.6 mm-40 -96.23 131.94 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.59 93.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.61 -15.13 1.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -92.0 158.87 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 47.4 p -95.59 142.62 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 61' ' ' LEU . 9.9 mt -46.75 -38.49 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -32.54 71.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' THR . 73.7 m-20 -60.87 -21.49 63.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -104.07 25.0 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 44.38 39.58 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 10.2 mt -70.96 156.55 39.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -143.91 149.1 36.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.19 134.4 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.45 81.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -124.95 163.0 23.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -120.41 93.67 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.38 136.42 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.509 ' NE2' ' HD3' ' A' ' 6' ' ' LYS . 11.2 m170 -96.41 137.14 35.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' A' ' 41' ' ' GLN . 2.0 tt -107.9 123.04 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -117.89 147.61 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.866 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.35 156.84 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.53 ' CB ' ' HA ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -118.0 65.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.94 86.83 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 62.76 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.3 -138.95 13.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.428 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.309 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.39 138.23 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 mt -123.4 145.14 49.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.9 m-85 -108.54 105.29 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 t -94.12 134.61 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -121.05 172.85 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.472 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 63.6 p -123.11 172.66 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -15.87 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -91.18 -54.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.34 -39.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.562 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.83 124.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -123.68 117.67 25.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 168.17 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.4 m -129.67 142.32 50.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 m -137.4 149.41 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -98.72 111.97 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 56' ' ' LEU . 1.6 tp -138.41 174.96 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 mm-40 -118.48 157.18 50.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 57' ' ' SER . 35.8 Cg_endo -64.86 -17.7 60.2 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.284 . . . . 0.0 112.193 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -85.97 -21.8 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.8 m-20 -59.88 179.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 55' ' ' THR . 4.7 p -135.07 166.93 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.691 HG12 ' HG3' ' A' ' 27' ' ' LYS . 55.8 t -46.59 -45.92 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -44.02 -51.05 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.75 -54.18 45.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.02 -53.73 30.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HG3' HG12 ' A' ' 23' ' ' VAL . 15.6 mttt -57.93 -42.39 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.3 53.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -67.01 -46.96 72.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.689 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.705 HD13 HD22 ' A' ' 69' ' ' LEU . 8.0 mt -61.8 -18.38 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.01 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.7 tt0 -89.9 -25.65 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -42.76 11.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -54.34 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.87 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 127.04 30.26 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.579 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CG2' ' A' ' 30' ' ' ILE . 5.9 mt -100.22 131.97 23.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 95.4 Cg_endo -81.33 145.83 15.26 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.739 2.293 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.3 Cg_exo -59.04 -26.71 82.68 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.772 2.314 . . . . 0.0 112.306 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 1.2 p-10 -72.89 -9.03 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HG3' ' HG2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.65 6.17 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' OE1' HD12 ' A' ' 30' ' ' ILE . 9.6 mt-30 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -126.75 102.57 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.863 HD13 HD12 ' A' ' 50' ' ' LEU . 26.4 mt -89.99 109.33 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' ILE . 50.7 mm -111.85 76.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -69.62 94.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.79 22.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.92 -5.13 24.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -94.12 108.88 20.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -82.62 111.14 18.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 43' ' ' LEU . 46.6 mt -74.58 125.91 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.96 140.19 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 135.02 48.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.76 -19.8 40.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.85 144.33 26.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' THR . 61.5 p -90.58 143.3 26.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 17' ' ' LEU . 20.1 mt -42.7 -45.94 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -54.69 -44.6 73.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 55' ' ' THR . 94.0 m-20 -45.37 -37.98 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 50' ' ' LEU . 64.5 m-85 -90.65 23.78 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' SER . 4.1 p-10 38.83 69.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.88 165.4 12.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -130.83 170.38 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -66.4 124.22 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 69.4 71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -103.12 158.94 15.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.7 m -111.78 96.62 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 43' ' ' LEU . 3.7 mt -96.53 132.31 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -91.18 99.58 12.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.705 HD22 HD13 ' A' ' 30' ' ' ILE . 15.1 tp -87.0 114.32 23.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 42' ' ' ARG . 27.3 m -118.44 150.19 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 71' ' ' LEU . 3.2 mm? -78.69 150.04 32.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -101.77 158.12 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 3.0 mp -113.53 -28.29 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 73' ' ' LEU . 2.9 ptp180 159.38 -32.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.88 178.89 34.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.516 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' HD11 ' A' ' 3' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.784 ' NE2' HG22 ' A' ' 14' ' ' THR . 31.2 tp60 -69.79 121.32 17.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD11 ' SD ' ' A' ' 1' ' ' MET . 13.2 mt -128.09 153.93 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -109.71 143.1 39.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.69 118.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 68' ' ' HIS . 14.3 ptmm? -95.06 136.31 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -94.39 -160.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp -82.0 -17.55 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 p -95.85 4.88 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.05 -28.58 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -38.2 131.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.54 111.94 24.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.937 HD11 HG13 ' A' ' 15' ' ' VAL . 1.5 tp -93.35 141.01 28.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.784 HG22 ' NE2' ' A' ' 2' ' ' GLN . 6.0 m -119.03 99.54 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.937 HG13 HD11 ' A' ' 13' ' ' LEU . 17.1 m -112.81 158.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -123.79 126.46 46.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 1' ' ' MET . 8.9 mt -140.77 -174.23 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.28 154.54 48.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.18 -18.64 64.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.796 2.331 . . . . 0.0 112.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 p -82.04 -23.33 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -57.37 174.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 55' ' ' THR . 70.7 p -130.54 165.89 21.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.51 ' CG1' ' HE3' ' A' ' 27' ' ' LYS . 99.6 t -44.46 -43.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' HG3' ' OD1' ' A' ' 52' ' ' ASP . 2.1 mt-10 -52.16 -52.23 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.656 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 12.5 m120 -53.16 -51.19 62.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -53.83 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.599 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HE3' ' CG1' ' A' ' 23' ' ' VAL . 41.0 mttt -50.59 -44.4 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -45.42 -53.2 9.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.759 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 1.8 mttp -60.75 -39.46 88.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.899 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.2 mt -56.68 -29.74 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -85.59 -21.13 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -14.5 33.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.31 -58.0 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -90.92 -6.31 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 57.58 32.61 65.2 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.572 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HB ' HG22 ' A' ' 30' ' ' ILE . 51.9 mt -96.5 123.19 55.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.708 0.29 . . . . 0.0 111.046 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.4 Cg_exo -62.06 138.2 71.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.8 2.333 . . . . 0.0 112.206 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 -25.83 51.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.01 -22.24 65.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.529 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.1 mt-30 -116.15 14.97 16.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.741 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.899 ' OE1' HD12 ' A' ' 30' ' ' ILE . 30.7 mt-30 -90.71 117.0 29.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' CB ' HG23 ' A' ' 70' ' ' VAL . 3.5 mtt85 -116.14 104.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.756 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HD12 ' A' ' 50' ' ' LEU . 69.6 mt -89.84 115.9 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 49' ' ' GLN . 21.3 mm -114.68 89.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 12.4 t80 -101.81 104.68 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.16 38.35 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 0.9 87.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 10.0 mttt -98.43 144.96 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HG3' ' CD1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -106.24 104.48 14.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.916 HD12 HD13 ' A' ' 43' ' ' LEU . 5.3 mt -54.73 120.22 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -93.57 127.0 39.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 6.5 t70 -56.28 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.74 -21.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -91.0 160.14 15.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.43 HG22 HG22 ' A' ' 22' ' ' THR . 82.3 p -94.72 144.24 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.9 mt -40.56 -43.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -62.93 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -50.59 -34.62 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 30.3 m-85 -96.21 25.98 4.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 41.19 78.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.5 mt -105.7 110.04 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -90.02 178.82 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -78.21 143.34 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.01 49.66 7.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -99.64 148.11 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -110.81 113.39 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.65 140.78 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 4.4 m170 -91.94 121.26 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.596 HD22 HD13 ' A' ' 30' ' ' ILE . 11.6 tp -114.28 115.67 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 ' CB ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -115.03 142.45 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 40' ' ' GLN . 10.3 tp -84.85 125.88 32.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.49 125.2 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -48.61 176.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 1.7 mtm105 -56.09 -84.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 42.51 79.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.546 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.57 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' CB ' ' HD2' ' A' ' 63' ' ' LYS . 14.6 ptt? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.821 0.343 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.25 142.73 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 17' ' ' LEU . 65.5 mt -130.63 142.22 50.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.85 136.49 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.33 121.08 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 5.8 ptpt -106.93 153.05 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -105.28 -174.62 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.737 HD21 HG13 ' A' ' 70' ' ' VAL . 5.1 mt -78.13 -1.27 31.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -113.66 -8.94 13.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.17 -7.62 44.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.574 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 97.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -91.87 149.05 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD12 ' OE2' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -131.54 162.48 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -126.22 110.15 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.05 173.12 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -125.47 121.86 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.728 HD12 HD12 ' A' ' 3' ' ' LEU . 5.5 mt -148.93 178.75 8.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 mm-40 -113.92 156.85 43.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.6 Cg_endo -64.66 -21.03 65.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.763 2.309 . . . . 0.0 112.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 p -85.55 -17.83 35.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -53.73 163.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -109.25 156.93 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' A' ' 27' ' ' LYS . 16.2 t -51.14 -34.5 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -44.12 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.56 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -58.7 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.438 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -57.3 -54.61 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD11 ' A' ' 43' ' ' LEU . 2.7 mttm -54.12 -42.87 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.73 -43.47 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.457 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' A' ' 17' ' ' LEU . 3.1 mmtm -60.86 -44.06 97.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.376 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.767 HD12 ' OE1' ' A' ' 41' ' ' GLN . 8.7 mt -68.0 -17.29 22.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -88.32 -24.71 23.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -13.49 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -112.87 -55.1 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' OE1' HD11 ' A' ' 36' ' ' ILE . 22.1 mt-10 -91.43 -3.71 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 62.19 24.1 64.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.392 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.52 HD12 ' CG2' ' A' ' 30' ' ' ILE . 4.0 mt -94.57 124.94 53.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 111.061 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.3 Cg_endo -78.75 141.38 17.13 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.689 2.259 . . . . 0.0 112.6 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.5 Cg_exo -57.59 -20.76 43.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.81 2.34 . . . . 0.0 112.047 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -72.11 -32.94 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.96 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -105.48 1.48 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.767 ' OE1' HD12 ' A' ' 30' ' ' ILE . 5.5 mt-30 -90.18 133.92 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.8 ttt-85 -128.84 96.53 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD11 ' HG3' ' A' ' 27' ' ' LYS . 3.8 mt -89.8 138.73 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.042 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 43' ' ' LEU . 9.1 mt -137.94 127.85 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 6.2 t80 -116.71 111.99 20.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.09 45.83 15.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.5 25.44 67.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.57 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.74 94.14 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 119.93 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.599 HD22 ' CE2' ' A' ' 59' ' ' TYR . 12.5 mt -71.4 152.18 43.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 16.5 mt-10 -125.89 122.6 36.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -49.78 111.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.42 -17.16 4.79 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -92.64 166.31 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 61.8 p -106.47 141.3 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.9 mt -45.09 -38.34 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 55' ' ' THR . 76.4 m-20 -58.55 -21.55 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 61' ' ' LEU . 62.6 m-85 -102.89 25.17 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' N ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 37.06 53.67 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.84 169.14 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.08 -170.26 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.15 132.37 36.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 58.41 73.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 32.5 m -103.26 159.79 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.0 m -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.4 mt -105.2 135.15 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 11.6 m170 -90.34 122.43 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.0 tt -100.15 108.5 20.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG13 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -113.7 151.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.849 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 142.7 49.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 2.2 mmt180 -40.07 138.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.729 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -51.97 -175.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 121.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.35 85.65 0.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.432 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.298 -1.279 . . . . 0.0 112.488 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HE1' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.756 0.312 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 135.4 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.75 142.19 51.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 64' ' ' GLU . 1.2 m-85 -105.25 111.62 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.06 120.63 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -107.74 165.14 11.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -119.73 -179.11 3.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.07 -9.16 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 -23.15 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 14.45 11.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 128.53 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.322 . . . . 0.0 110.775 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -114.56 132.62 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 13' ' ' LEU . 4.5 pp -127.51 140.14 52.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 m -95.64 122.23 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -121.81 147.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.28 116.06 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 mt -141.07 -178.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.6 mm-40 -127.3 151.83 75.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG3' ' HE1' ' A' ' 1' ' ' MET . 32.5 Cg_exo -58.16 -17.43 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.801 2.334 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.6 p -88.17 0.15 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' THR . 1.3 m-20 -74.05 158.31 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 60.6 p -112.01 160.74 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 95.7 t -48.89 -47.26 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.41 -41.23 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.777 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -61.99 -60.64 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 7.9 tp -48.69 -43.25 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 110.348 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 1.7 mmtt -57.21 -44.74 83.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.306 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.77 -41.83 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -60.53 -43.45 97.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 69' ' ' LEU . 14.2 mt -70.86 -19.27 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 10.5 tt0 -89.05 -27.44 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -9.91 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 15' ' ' VAL . 8.7 mtmm -119.24 -56.34 2.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -90.93 -1.15 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.53 34.71 35.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.602 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mt -107.45 120.65 46.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.3 Cg_exo -60.94 153.48 63.27 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.812 2.342 . . . . 0.0 112.255 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.9 Cg_exo -60.33 -42.77 39.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.849 2.366 . . . . 0.0 112.336 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.0 -20.3 57.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -107.94 22.43 15.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.74 ' OE1' HD12 ' A' ' 30' ' ' ILE . 44.4 mt-30 -110.67 133.72 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.3 ttt85 -140.33 86.31 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.635 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' ILE . 12.8 mt -89.93 133.87 34.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.516 HD12 ' HG3' ' A' ' 49' ' ' GLN . 8.8 mm -121.54 78.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 45.3 t80 -54.56 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 52.69 38.65 26.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 100.76 5.48 53.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.575 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 7.8 mttm -108.53 105.42 15.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HG3' HD12 ' A' ' 44' ' ' ILE . 1.2 mt-30 -73.23 104.35 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 9.9 mt -50.36 126.96 16.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 22.9 mm-40 -101.41 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -39.82 146.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.027 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 -13.43 59.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 51' ' ' GLU . 7.0 mmt180 -95.1 157.3 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.5 p -94.3 157.66 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.1 mt -59.56 -33.52 71.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.43 -7.96 50.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HD23 ' A' ' 61' ' ' LEU . 35.6 m-85 -119.01 27.22 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 8.6 p30 49.76 29.42 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -50.19 133.19 23.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -172.28 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CG ' ' HG3' ' A' ' 64' ' ' GLU . 3.6 ttpp -87.68 117.84 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . 6.1 mt-10 79.27 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -77.51 154.12 32.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -112.94 97.09 6.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 43' ' ' LEU . 9.2 mt -98.27 144.95 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 10.6 m170 -101.82 113.73 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 30' ' ' ILE . 5.3 tp -93.07 116.89 29.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -125.7 149.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.1 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.33 156.34 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.28 147.79 28.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.7 mt -83.45 147.39 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttt-85 -111.32 14.3 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.89 -157.52 25.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.423 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.567 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.86 160.09 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -147.82 150.44 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -116.87 138.29 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -130.48 118.03 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 147.48 47.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -104.25 -158.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 70' ' ' VAL . 7.7 mt -89.69 33.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -136.27 -44.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.87 -37.74 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HD3' ' OE2' ' A' ' 34' ' ' GLU . 27.6 ttmt -42.73 106.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.1 139.86 30.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.3 125.82 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.45 108.38 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.18 158.67 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.19 129.54 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 56' ' ' LEU . 1.8 tp -147.29 -170.66 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.35 153.58 76.45 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 23.8 Cg_endo -61.56 -20.85 70.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -81.31 -16.56 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' THR . 14.5 m-20 -69.92 166.12 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 5.4 p -120.5 167.73 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 51' ' ' GLU . 11.6 t -50.2 -46.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -44.46 16.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.93 -52.19 60.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 43' ' ' LEU . 20.0 tp -50.54 -52.16 41.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.8 mmtt -55.09 -52.05 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.08 -41.53 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 17' ' ' LEU . 6.5 mmtm -64.31 -46.16 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.968 HD12 ' OE1' ' A' ' 41' ' ' GLN . 9.0 mt -61.07 -26.12 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.484 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 59.5 tt0 -85.06 -15.59 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -34.41 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -99.35 -51.2 3.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 36' ' ' ILE . 4.3 mm-40 -93.71 3.53 55.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.276 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 45.1 37.32 5.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.45 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 34' ' ' GLU . 37.0 mt -104.36 121.82 46.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 33.9 Cg_exo -59.66 133.85 54.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.836 2.357 . . . . 0.0 112.231 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.8 Cg_exo -55.83 -31.0 79.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.734 2.289 . . . . 0.0 112.254 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.53 -31.38 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.83 23.65 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' OE1' HD12 ' A' ' 30' ' ' ILE . 39.7 mt-30 -104.18 120.74 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 12.5 ttp180 -115.17 89.61 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 26' ' ' LEU . 1.8 mt -90.15 113.12 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.559 HG22 ' CA ' ' A' ' 47' ' ' GLY . 54.3 mt -117.14 78.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' A' ' 50' ' ' LEU . 14.3 t80 -61.99 110.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.86 37.65 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.559 ' CA ' HG22 ' A' ' 44' ' ' ILE . . . 85.16 4.55 86.51 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -103.06 120.56 40.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.0 120.51 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 45' ' ' PHE . 9.9 mt -75.03 131.43 40.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.572 ' O ' HG21 ' A' ' 23' ' ' VAL . 6.1 mt-10 -96.21 125.39 40.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 7.0 t70 -54.52 99.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.38 -10.89 3.8 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -91.32 146.99 23.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' ASP . 5.7 p -90.43 139.16 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.841 HD11 HD23 ' A' ' 17' ' ' LEU . 10.0 mt -41.85 -35.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -64.79 -34.1 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' THR . 17.6 m-20 -56.59 -27.97 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.622 ' HB2' HD23 ' A' ' 61' ' ' LEU . 68.2 m-85 -102.48 29.84 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 39.04 41.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -61.44 149.31 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.93 -179.26 3.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 122.26 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.82 82.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -111.68 137.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 m -97.53 100.22 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 67' ' ' ILE . 5.3 mp -104.93 149.08 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 8.6 m170 -97.34 128.3 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD12 HD23 ' A' ' 43' ' ' LEU . 1.9 tp -113.5 128.61 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -128.21 -162.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' H ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -126.63 146.32 50.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 13.8 ttp-105 -70.76 153.73 42.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -52.65 145.1 12.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -114.72 91.53 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.86 64.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.49 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 17.9 ptt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.912 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.7 mt-30 -91.15 158.78 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 2' ' ' GLN . 5.8 mt -143.42 136.42 27.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -104.27 128.93 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.5 108.29 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -99.01 139.97 33.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -96.44 -164.71 1.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -3.44 36.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 10' ' ' GLY . 2.0 p -102.61 -59.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' N ' ' OG1' ' A' ' 9' ' ' THR . . . 159.94 -38.06 0.46 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 124.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -108.35 115.35 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.98 134.61 34.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -107.21 123.76 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.95 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 4.3 mp0 -111.95 120.22 41.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB3' ' OD2' ' A' ' 21' ' ' ASP . 50.2 mt -148.52 176.63 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.8 mm-40 -113.92 158.69 38.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 30.3 Cg_endo -63.3 -18.23 63.81 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.623 2.215 . . . . 0.0 112.202 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.49 -15.82 57.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 17' ' ' LEU . 67.0 m-20 -67.97 162.53 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 55' ' ' THR . 13.2 p -117.13 161.02 20.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 76.5 t -47.94 -37.96 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.53 -46.4 66.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.409 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.22 -52.43 62.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.0 tp -50.55 -48.39 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.228 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 17.3 mmtt -57.71 -47.51 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.35 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.48 23.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.16 -48.3 80.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.439 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.971 HD12 ' OE1' ' A' ' 41' ' ' GLN . 7.7 mt -58.29 -23.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 12.4 tt0 -90.52 -22.82 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.686 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -5.0 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -120.73 -62.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -90.17 -15.31 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 69.08 38.19 83.37 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 70.0 mt -102.21 130.88 23.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 27.3 Cg_exo -60.92 149.22 89.72 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.587 2.191 . . . . 0.0 112.041 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 38.9 Cg_exo -59.97 -36.56 89.56 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.928 2.419 . . . . 0.0 112.614 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.22 0.64 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.335 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -116.35 6.36 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.971 ' OE1' HD12 ' A' ' 30' ' ' ILE . 29.0 mt-30 -107.05 92.2 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.255 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.5 ttm180 -96.11 92.04 6.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.333 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 50' ' ' LEU . 5.7 mt -89.6 121.06 31.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 47' ' ' GLY . 19.4 mm -111.39 71.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.961 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.445 ' CE2' ' OD1' ' A' ' 60' ' ' ASN . 41.8 t80 -52.1 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.32 25.85 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 44' ' ' ILE . . . 113.42 -1.53 25.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.73 119.81 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -87.45 96.88 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.076 HD12 HD12 ' A' ' 43' ' ' LEU . 17.3 mt -55.56 118.14 4.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.3 mt-10 -109.55 110.14 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -34.9 132.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.1 -32.46 5.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.22 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -89.95 148.38 23.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.76 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.853 HG22 HG22 ' A' ' 22' ' ' THR . 30.6 p -92.41 154.33 18.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.98 -39.54 59.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -70.37 -17.42 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' CG ' ' OG1' ' A' ' 55' ' ' THR . 77.4 m-20 -81.7 -10.3 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 34.2 m-85 -107.24 -86.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.77 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 42.5 p-10 173.03 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -79.25 114.37 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -96.37 175.98 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 1.0 OUTLIER -64.63 116.45 6.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 32.8 mt-10 64.79 81.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -121.03 164.0 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -103.68 135.85 44.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.796 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.534 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 8.2 mt -129.43 142.27 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.89 100.31 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.3 tt -82.86 97.84 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 42' ' ' ARG . 1.7 t -97.76 158.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.874 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' ARG . 2.5 mm? -107.5 75.39 1.01 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' LEU . 7.9 ttt-85 35.3 86.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HG ' HG11 ' A' ' 70' ' ' VAL . 86.1 mt -62.6 177.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.44 -35.9 22.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.0 -169.61 12.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.588 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.439 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ttp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -78.75 155.82 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.027 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.8 mt -139.52 143.17 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -111.6 113.72 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' THR . 22.3 t -104.32 120.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.83 145.06 29.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' LYS . 33.0 p -110.0 167.35 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.982 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 70' ' ' VAL . 9.7 mp -58.81 -20.37 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -95.56 -1.18 51.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.92 -34.74 4.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 7' ' ' THR . 25.0 tptt -42.18 100.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.3 m -101.01 120.73 40.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -110.19 148.94 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 17.6 m -119.5 147.17 44.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.77 175.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.5 121.9 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.035 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 29' ' ' LYS . 9.1 tp -150.19 160.68 43.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -99.24 156.27 35.62 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 33.7 Cg_endo -64.25 -20.92 67.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.821 2.347 . . . . 0.0 112.289 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -73.74 -15.99 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' OD1' ' HG ' ' A' ' 17' ' ' LEU . 2.4 m-20 -66.07 160.56 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 p -110.87 162.85 14.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 99.0 t -48.17 -48.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -43.53 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.41 -56.44 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.1 tp -50.02 -55.47 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' NZ ' HD12 ' A' ' 43' ' ' LEU . 39.3 mttp -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.471 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HE3' HD13 ' A' ' 17' ' ' LEU . 4.5 mmtt -62.56 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.757 HD12 ' OE1' ' A' ' 41' ' ' GLN . 62.3 mt -61.9 -19.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 49.9 tt0 -82.61 -30.45 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -3.6 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -115.37 -59.3 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.068 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 10.7 mm-40 -99.95 12.14 37.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 51.1 38.09 38.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.755 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.601 HG22 ' HG3' ' A' ' 41' ' ' GLN . 3.1 mt -106.45 124.8 34.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.293 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 90.8 Cg_endo -80.91 150.12 18.14 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.892 2.395 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.2 Cg_exo -59.83 -31.09 93.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.833 2.355 . . . . 0.0 112.185 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 5.0 p-10 -67.52 -26.42 66.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.997 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.0 mt-30 -108.94 7.54 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.757 ' OE1' HD12 ' A' ' 30' ' ' ILE . 15.5 mt-30 -100.25 127.11 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 70' ' ' VAL . 52.7 mtp85 -131.84 92.64 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.596 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 27' ' ' LYS . 8.2 mt -89.33 134.17 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.435 HD11 HG21 ' A' ' 70' ' ' VAL . 1.8 mt -128.91 109.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.956 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -113.25 127.92 56.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.54 29.74 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.213 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 21.38 68.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.73 110.33 16.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 104.01 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HA ' ' OH ' ' A' ' 59' ' ' TYR . 11.0 mt -52.23 122.98 9.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -97.9 118.15 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -49.37 97.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.64 -18.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.33 160.61 14.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 p -90.05 159.56 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 5.4 mt -59.06 -40.4 85.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -26.19 64.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' THR . 97.6 m-20 -67.3 -8.65 33.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 50' ' ' LEU . 89.4 m-85 -117.65 27.14 9.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 p30 40.26 41.06 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.2 mt -67.04 161.87 23.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -147.44 166.22 27.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -43.08 141.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 41.63 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -105.28 156.72 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -116.67 95.05 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -98.09 144.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.37 103.01 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 41' ' ' GLN . 7.3 tp -79.76 118.68 21.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -110.66 152.53 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.89 127.28 52.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -86.65 135.33 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.67 -174.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -38.23 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.61 45.05 38.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.487 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 ttp . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.862 0.363 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.71 110.79 22.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -111.62 163.93 13.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CD1' HG23 ' A' ' 14' ' ' THR . 16.1 m-30 -119.15 160.77 21.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -149.03 96.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 14.3 ptmt -89.86 157.87 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -122.89 -167.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.02 4.12 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 p -108.79 14.9 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.23 11.22 70.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 3.8 tttp -87.02 122.75 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -104.63 114.88 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.06 160.81 14.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 4' ' ' PHE . 33.6 m -147.27 119.77 8.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.57 165.34 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -116.18 107.73 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD21 ' HG3' ' A' ' 29' ' ' LYS . 1.1 mt -129.48 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -114.38 150.78 44.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 16.5 Cg_endo -57.73 -21.28 47.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.811 2.341 . . . . 0.0 112.206 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.9 p -76.75 -15.6 59.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 18' ' ' GLU . 1.6 m-20 -68.23 165.37 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -124.96 163.4 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG12 ' HD2' ' A' ' 27' ' ' LYS . 77.5 t -44.43 -49.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -48.39 34.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.719 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 29.7 m120 -56.99 -55.31 36.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 tp -45.75 -53.05 10.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.366 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' HG12 ' A' ' 23' ' ' VAL . 6.3 mttt -55.53 -44.65 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.256 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -50.13 -38.37 38.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.685 ' HG3' HD21 ' A' ' 17' ' ' LEU . 4.2 mmmt -66.48 -46.81 75.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.253 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.13 -20.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 8.7 tt0 -83.55 -30.41 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.591 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -9.67 46.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.995 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -105.54 -67.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 6.2 mm-40 -89.84 5.74 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 58.43 37.24 87.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 8.2 mt -112.85 137.61 21.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HG2' ' CG ' ' A' ' 40' ' ' GLN . 78.6 Cg_endo -78.73 149.63 23.59 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.637 2.225 . . . . 0.0 111.885 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.1 Cg_exo -56.49 -33.16 91.78 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 2.295 . . . . 0.0 112.537 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.84 4.84 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.612 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.559 ' CG ' ' HG2' ' A' ' 37' ' ' PRO . 88.0 mt-30 -124.71 3.79 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.642 0.258 . . . . 0.0 111.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -119.41 128.94 54.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.361 . . . . 0.0 111.243 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.615 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -117.21 122.12 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 26' ' ' LEU . 7.5 mt -112.96 130.43 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -126.36 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -80.18 121.84 26.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.84 29.85 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.87 -8.07 80.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -91.65 121.55 33.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 103.28 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 43' ' ' LEU . 14.9 mt -45.17 130.49 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -100.92 113.85 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 53.9 t0 -54.51 90.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.27 -24.18 0.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 166.79 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 59.9 p -92.17 170.98 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 61' ' ' LEU . 5.6 mt -68.28 -51.34 46.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.765 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -16.83 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' THR . 37.8 m-20 -70.21 -16.67 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ASN . 57.7 m-85 -111.42 36.54 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER 36.98 34.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 56' ' ' LEU . 3.7 mt -69.23 118.68 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -94.04 -175.4 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -71.42 128.25 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 66.75 73.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 4.2 m -104.75 146.36 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -98.45 107.19 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.9 mt -101.49 131.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 5.0 m170 -90.44 117.57 29.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -98.76 130.34 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -120.62 137.95 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -73.33 69.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.7 ttt180 36.3 88.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.6 86.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.08 -79.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.32 -8.02 63.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.315 -1.27 . . . . 0.0 112.472 -179.959 . . . . . . . . 0 0 . 1 stop_ save_