data_2hf5_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 2hf5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 52' ' ' ILE . 83.3 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.366 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.84 -34.86 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.09 -35.03 76.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.244 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG21 ' A' ' 55' ' ' VAL . 46.6 tpp -68.48 -35.73 77.94 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.485 ' CG1' ' HB2' ' A' ' 102' ' ' ALA . 70.3 mt -60.51 -37.8 76.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -75.07 -26.05 59.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.588 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.57 -25.67 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 51' ' ' MET . 93.9 t -86.37 -31.91 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.196 0.522 . . . . 0.0 110.201 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.579 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 29.0 t70 -55.61 114.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.221 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.52 -38.3 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.561 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -116.03 -11.39 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.87 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 102.14 8.91 43.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.375 -0.917 . . . . 0.0 114.999 176.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -80.16 -5.8 56.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.339 1.07 . . . . 0.0 110.923 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.87 -0.42 82.6 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.813 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -143.56 155.14 44.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.5 140.63 16.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.608 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 9.3 t0 -111.12 175.36 5.45 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 177.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 85.1 m-85 -55.29 -51.37 80.4 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 118.61 0.641 . . . . 0.0 111.657 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 48.6 Cg_exo -57.79 -44.04 44.26 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.11 1.873 . . . . 0.0 112.188 176.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.608 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.6 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.338 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 66.8 t80 -56.59 -45.97 81.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.25 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -66.43 -38.76 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.899 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -74.72 -45.98 40.54 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.161 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 0.1 OUTLIER -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.91 0.385 . . . . 0.0 110.926 175.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.76 -69.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.911 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.2 -13.8 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 . . . . . 0 C--N 1.334 -0.107 0 O-C-N 123.811 0.694 . . . . 0.0 110.868 178.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 27.5 mt-10 -55.88 -54.19 47.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.999 173.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.63 -40.97 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.591 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 39.3 mm -64.98 -39.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.729 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 21.3 ttm180 -67.22 -39.67 86.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.1 mm-40 -59.01 -40.82 86.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.736 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.433 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -60.36 -43.55 96.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.856 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.593 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 15.6 m-85 -55.86 -44.93 78.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -76.17 -24.3 54.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.279 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.423 HG11 HG23 ' A' ' 108' ' ' VAL . 30.6 t -78.03 -49.99 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.644 ' HA ' HG11 ' A' ' 108' ' ' VAL . 12.0 m-85 -62.77 -48.66 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.688 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.855 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.2 t70 -64.26 149.2 48.52 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.522 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.31 -40.07 71.04 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.17 1.73 42.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.492 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.09 32.99 13.24 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.899 -0.591 . . . . 0.0 113.942 -171.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.06 19.94 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 117.988 0.894 . . . . 0.0 113.194 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.4 22.6 64.6 Favored Glycine 0 C--O 1.228 -0.236 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.229 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 93' ' ' ASP . 55.0 m-85 -148.5 153.36 38.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.64 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.0 mt -118.17 107.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.929 0.395 . . . . 0.0 110.471 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.691 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 21.9 t -104.24 173.69 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.213 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 105' ' ' LEU . . . -63.88 -53.35 51.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.663 0.268 . . . . 0.0 111.344 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.41 -39.68 57.75 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.967 0.413 . . . . 0.0 111.669 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.855 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.0 mm-40 -66.94 -39.23 87.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.001 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 109' ' ' MET . 21.0 mt -52.82 -44.78 66.93 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.776 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 49.8 mtt180 -71.19 -36.71 72.03 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.463 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 104' ' ' GLU . 22.3 t60 -49.29 -52.83 25.16 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.357 0.599 . . . . 0.0 111.555 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.7 p -86.89 -38.73 12.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.22 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.675 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.0 ttt -71.31 -71.69 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.402 -169.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -128.13 -34.07 2.14 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 5.5 t30 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 103' ' ' ALA . 3.1 mm? . . . . . 0 C--O 1.223 -0.326 0 CA-C-O 120.19 0.043 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 110.291 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.5 -48.75 79.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.626 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.508 ' HB3' ' HB3' ' A' ' 102' ' ' ALA . 12.6 tpt -67.79 -31.96 72.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.668 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.544 HG13 ' HB2' ' A' ' 102' ' ' ALA . 70.6 mt -62.68 -46.07 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.52 -31.02 71.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.994 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -81.48 -31.39 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.84 -31.16 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.48 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 28.2 t0 -60.36 87.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.624 0.726 . . . . 0.0 112.247 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.41 -40.53 50.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.782 -1.099 . . . . 0.0 113.057 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 39.1 m-20 -89.66 -18.55 26.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.206 -177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 93.37 3.4 65.01 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.369 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.567 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 5.6 p-10 -77.21 -0.21 24.28 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.85 84.42 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.039 -0.601 . . . . 0.0 113.363 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.419 HG22 HD21 ' A' ' 60' ' ' ASN . 5.5 t -159.65 163.79 34.61 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.671 HG12 ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -82.01 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' OD1' ' HB2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -111.53 175.58 5.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.629 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 81.7 m-85 -53.54 -51.29 77.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 52.5 Cg_exo -58.25 -41.58 65.19 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.735 1.623 . . . . 0.0 112.38 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.671 ' HB3' HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.92 -54.21 45.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HA ' HD12 ' A' ' 63' ' ' ILE . 51.7 t80 -57.62 -45.05 85.86 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.91 -176.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.561 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -76.06 -42.08 48.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.872 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -31.4 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.309 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.93 -67.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.82 -15.31 0.71 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.3 tpm_? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 6.6 pt-20 -64.29 -46.68 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 15.6 tp10 -68.88 -39.12 79.96 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.9 mm -67.32 -39.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.629 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 7.4 tmm_? -63.98 -41.42 97.53 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.249 0.547 . . . . 0.0 109.783 176.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -67.32 -33.4 75.19 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.582 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' HD2' ' A' ' 92' ' ' PHE . . . -65.63 -40.46 92.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 175.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HA ' HD12 ' A' ' 100' ' ' ILE . 8.5 m-85 -55.28 -41.15 71.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 68.6 mtp180 -73.06 -29.95 63.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.337 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 87' ' ' GLU . 68.9 t -78.83 -49.52 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.491 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' HA ' HG13 ' A' ' 108' ' ' VAL . 55.8 m-85 -63.04 -44.31 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 0.0 110.784 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.854 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.6 t0 -65.24 142.49 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.545 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -87.74 -31.28 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.389 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.63 -4.97 23.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.615 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 53.56 38.36 58.18 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.004 -0.998 . . . . 0.0 115.126 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.488 HD22 ' HB2' ' A' ' 99' ' ' TYR . 3.3 p-10 -73.53 -1.91 20.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.937 1.369 . . . . 0.0 112.033 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.22 22.28 27.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.614 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.488 ' HB2' HD22 ' A' ' 97' ' ' ASN . 62.6 m-85 -151.07 143.62 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.652 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 69.3 mt -108.25 103.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.542 0.687 . . . . 0.0 111.122 -171.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.667 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 15.1 m -103.17 176.36 5.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.496 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -60.59 -54.43 45.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 48' ' ' LEU . . . -49.91 -42.29 47.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.854 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -62.09 -46.46 88.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 109' ' ' MET . 43.7 mt -61.36 -51.38 69.04 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.071 -176.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.687 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 9.7 mtp85 -69.26 -22.37 63.84 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.935 -176.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -73.93 -38.93 64.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.52 0.676 . . . . 0.0 109.822 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -87.71 -32.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.466 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.8 tmm? -81.02 -74.89 0.3 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.692 -166.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.43 HG21 ' SD ' ' A' ' 109' ' ' MET . 9.8 p -132.0 -28.57 1.74 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.355 0.98 . . . . 0.0 112.715 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 14.0 m120 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.955 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 52' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.468 0.175 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.98 -36.18 83.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.401 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.63 -40.31 88.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.573 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.697 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 1.1 tpt -66.27 -33.62 76.15 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 48' ' ' LEU . 79.2 mt -65.27 -44.2 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.633 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -34.64 68.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.212 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.02 -34.58 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.594 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 63' ' ' ILE . 1.2 p -94.19 -30.56 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 0.0 111.785 -171.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.09 89.36 0.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.401 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -80.29 -42.81 22.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.646 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.14 -19.04 44.37 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.817 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.01 10.33 75.46 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.084 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 HD22 ' CG ' ' A' ' 64' ' ' ASP . 32.6 p-10 -85.57 -2.66 58.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.857 0.36 . . . . 0.0 111.395 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 12.92 69.58 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.821 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 t -157.83 151.74 24.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.591 HG21 ' HB ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.33 139.78 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 3.0 m-20 -114.31 -179.02 3.51 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 70.6 m-85 -54.89 -50.08 88.2 Favored Pre-proline 0 C--N 1.317 -0.829 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.08 173.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.52 -54.17 5.35 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.075 1.85 . . . . 0.0 112.981 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.609 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 36.4 mt-10 -61.91 -50.5 71.93 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HD1' HG23 ' A' ' 63' ' ' ILE . 36.7 t80 -59.91 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 -173.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 85' ' ' ILE . 4.2 mm? -69.47 -47.09 65.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.3 m -69.92 -44.51 69.48 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.485 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -67.66 -22.82 65.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.489 175.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 50.2 ttm -68.21 -68.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 170.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.18 -15.78 1.71 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.726 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 61.8 ttt180 . . . . . 0 C--N 1.33 -0.275 0 O-C-N 123.682 0.614 . . . . 0.0 110.402 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.235 0.319 0 CA-C-O 121.319 0.581 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.28 -38.98 88.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.71 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.47 -36.25 78.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.188 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.488 HG23 HD22 ' A' ' 69' ' ' LEU . 47.7 mm -64.95 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.515 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 97.9 mtt180 -65.59 -35.87 82.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.108 0.48 . . . . 0.0 110.346 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.488 ' O ' HG21 ' A' ' 91' ' ' VAL . 57.6 mm-40 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.84 70.65 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.105 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HA ' HD13 ' A' ' 100' ' ' ILE . 11.8 m-85 -55.78 -35.09 65.89 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.432 0.634 . . . . 0.0 110.419 173.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -69.97 -36.06 74.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.394 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 87' ' ' GLU . 57.3 t -88.47 -26.56 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' C ' HG13 ' A' ' 108' ' ' VAL . 37.6 m-85 -86.15 15.75 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.341 0.591 . . . . 0.0 110.812 178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.837 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 49.1 t0 -130.21 145.73 51.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 78.3 mttt -70.67 -35.84 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.734 0.778 . . . . 0.0 109.337 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.48 1.94 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 112.383 -172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.41 48.85 6.99 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.631 -0.713 . . . . 0.0 114.837 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.411 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.7 p-10 -76.36 3.62 10.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.573 1.186 . . . . 0.0 111.759 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.57 21.46 31.6 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.275 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB2' HD22 ' A' ' 97' ' ' ASN . 64.7 m-85 -149.8 145.14 26.44 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.591 ' HB ' HG21 ' A' ' 63' ' ' ILE . 74.7 mt -110.09 102.47 14.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.229 0.538 . . . . 0.0 109.923 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.9 t -101.24 166.01 10.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.42 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.749 0.309 . . . . 0.0 110.736 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.89 -48.7 42.11 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.841 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.837 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.9 mm-40 -60.13 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.86 -48.21 82.16 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.317 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -70.11 -57.38 5.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 5.3 t-80 -57.05 -35.83 69.8 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.41 0.444 . . . . 0.0 111.642 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.426 HG13 ' C ' ' A' ' 92' ' ' PHE . 2.2 p -84.43 -43.19 17.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.38 -174.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.11 -71.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -130.59 -43.05 1.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.57 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 13.1 m120 . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 111.175 -167.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.603 ' O ' HG13 ' A' ' 52' ' ' ILE . 41.0 mt . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.51 -39.7 81.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 109.906 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.83 -43.89 97.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.75 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.2 tpt -61.64 -32.72 72.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.414 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 48' ' ' LEU . 77.6 mt -65.93 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.464 0.65 . . . . 0.0 109.452 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.01 -22.77 58.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.674 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.96 -30.11 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.089 0.471 . . . . 0.0 110.677 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -79.4 -32.92 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.05 119.49 8.44 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 122.174 0.988 . . . . 0.0 111.214 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.96 -40.46 7.64 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.108 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -100.2 -19.96 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.862 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.99 76.17 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.826 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -145.54 -14.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.679 -0.76 . . . . 0.0 111.498 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 0.3 54.37 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.843 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -161.01 -177.1 5.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.788 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.62 142.9 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 165.38 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.617 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 27.4 t0 -111.82 177.16 4.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.634 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 65.4 m-85 -55.08 -55.93 33.69 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 118.521 0.6 . . . . 0.0 111.842 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.634 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.0 Cg_exo -56.04 -39.93 88.12 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.064 1.843 . . . . 0.0 112.695 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 44.0 mt-10 -63.17 -52.48 62.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.296 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 63' ' ' ILE . 67.9 t80 -59.99 -50.01 75.41 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.07 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 85' ' ' ILE . 3.9 mm? -57.56 -41.32 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 27.3 m -73.73 -41.69 62.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.678 -176.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.438 ' HA ' ' HE3' ' A' ' 71' ' ' MET . 32.7 mmt -75.59 -25.88 57.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttt -71.8 -68.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.85 -14.07 0.88 Allowed 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 70' ' ' THR . 29.1 tpt180 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 109.994 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.521 -0.167 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.53 -43.57 96.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.221 0.534 . . . . 0.0 110.828 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.3 -28.08 61.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.526 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -71.48 -35.4 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -61.13 -36.8 80.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.288 0.566 . . . . 0.0 109.864 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 3.3 tp10 -71.49 -27.69 63.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.093 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' HA ' HG13 ' A' ' 91' ' ' VAL . . . -72.34 -44.29 62.84 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.841 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 18.0 m-85 -56.09 -32.32 64.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.089 0.471 . . . . 0.0 110.611 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.532 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 58.4 ttt180 -76.63 -36.15 57.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.827 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.434 HG13 ' HA ' ' A' ' 88' ' ' ALA . 2.5 p -86.74 -25.46 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.984 -176.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.403 ' C ' HG12 ' A' ' 108' ' ' VAL . 36.0 m-85 -91.29 15.57 11.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.002 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.727 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 48.5 t0 -130.69 143.78 50.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.104 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 107' ' ' HIS . 2.6 mtpm? -69.03 -37.4 78.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.483 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.21 2.05 13.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.995 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.39 50.03 6.76 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.96 21.47 0.32 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.775 1.288 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.75 21.48 78.54 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.191 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.7 m-85 -152.52 147.11 25.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' PHE . 79.8 mt -109.97 103.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.217 0.532 . . . . 0.0 110.666 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.732 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 8.0 m -101.21 163.17 12.41 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -57.68 -53.71 55.11 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -50.64 -41.89 55.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.706 175.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.732 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 2.1 mm-40 -63.19 -46.12 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 109' ' ' MET . 9.7 mt -55.52 -48.3 74.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.824 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -78.97 -53.85 6.62 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.522 -173.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.454 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -53.38 -38.17 63.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.864 -176.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 104' ' ' GLU . 7.6 p -85.36 -45.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.895 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -74.52 -60.51 2.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.532 -170.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 m -124.65 -37.39 2.49 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.851 -0.531 . . . . 0.0 112.17 -173.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -173.793 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD21 ' HD2' ' A' ' 106' ' ' ARG . 75.8 mt . . . . . 0 C--O 1.226 -0.155 0 CA-C-O 120.416 0.151 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.32 -41.12 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.316 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -64.14 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 110.339 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.665 ' HB3' ' HB3' ' A' ' 102' ' ' ALA . 15.3 tpt -67.08 -31.64 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.697 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 48' ' ' LEU . 74.0 mt -63.34 -46.77 94.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.38 -24.77 66.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.789 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.6 -35.94 57.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 0.0 110.543 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG21 HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -97.47 -31.05 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.289 -170.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -70.99 81.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.977 0.894 . . . . 0.0 112.014 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -76.16 -39.33 55.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.205 -1.361 . . . . 0.0 112.44 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -90.18 -19.52 24.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.121 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 7.04 52.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.664 -0.779 . . . . 0.0 114.588 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 HD22 ' CG ' ' A' ' 64' ' ' ASP . 20.0 p30 -80.8 -8.89 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.249 1.025 . . . . 0.0 111.587 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.51 15.71 45.79 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 t -159.23 160.31 35.2 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 100' ' ' ILE . 1.1 tt -80.55 144.05 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.611 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.8 m-20 -115.28 177.96 4.46 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.2 m-85 -58.93 -51.67 80.24 Favored Pre-proline 0 C--N 1.32 -0.682 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.41 172.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 84.5 Cg_exo -50.22 -52.15 9.52 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.103 1.869 . . . . 0.0 112.671 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 58.9 mt-10 -64.01 -54.65 30.94 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.507 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.98 -49.01 79.2 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.374 0.131 . . . . 0.0 111.095 -173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 69' ' ' LEU . 3.6 mm? -59.19 -42.82 91.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.4 m -75.23 -43.41 51.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.142 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.767 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 96.3 mmm -66.69 -27.96 68.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.346 0.259 . . . . 0.0 111.019 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.4 ttt -68.5 -66.65 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.68 -14.91 0.14 Allowed 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.767 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 22.5 mmt180 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 121.323 0.583 . . . . 0.0 109.692 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 7.1 mp0 -59.45 -49.52 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.56 . . . . 0.0 110.284 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.556 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.0 mm -67.76 -35.6 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.817 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 86' ' ' ARG . 32.5 ttp180 -70.87 -37.6 73.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.775 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 91' ' ' VAL . 28.2 mt-10 -68.23 -29.4 68.21 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -65.48 -41.38 93.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' HA ' HD11 ' A' ' 100' ' ' ILE . 10.5 m-85 -53.83 -46.69 71.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.483 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.85 -26.12 60.41 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.138 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 87' ' ' GLU . 54.1 t -80.12 -48.67 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.674 ' HA ' HG11 ' A' ' 108' ' ' VAL . 26.2 m-85 -60.45 -40.73 92.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.898 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.9 t70 -63.43 139.48 58.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.07 0.462 . . . . 0.0 111.306 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -78.58 -34.58 46.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.676 -176.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -93.99 3.7 54.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.577 179.065 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.66 29.57 25.62 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-O 119.616 -0.547 . . . . 0.0 114.002 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.9 0.64 23.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.249 1.025 . . . . 0.0 112.91 -174.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.95 -22.18 42.11 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 114.392 170.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.07 159.56 15.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 117.13 0.465 . . . . 0.0 110.588 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.66 ' HB ' HG21 ' A' ' 63' ' ' ILE . 50.0 mt -112.29 102.26 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 110.543 -177.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.785 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 14.7 m -94.85 -179.9 5.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 174.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.665 ' HB3' ' HB3' ' A' ' 51' ' ' MET . . . -65.73 -56.56 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -51.48 -31.77 24.76 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.141 0.496 . . . . 0.0 111.844 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.898 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.2 mm-40 -62.78 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.596 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.1 mm? -52.12 -48.31 64.87 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.074 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 48' ' ' LEU . 36.6 mtt180 -69.57 -43.08 73.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.431 -173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -49.32 -48.52 46.33 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.373 0.606 . . . . 0.0 111.37 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.674 HG11 ' HA ' ' A' ' 92' ' ' PHE . 10.0 p -85.59 -35.49 9.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 -172.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.596 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.11 -73.87 0.29 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.675 -170.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 t -132.05 -14.57 3.05 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 10.9 m120 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 106' ' ' ARG . 81.9 mt . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.97 -33.82 73.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.443 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -56.15 -53.15 60.57 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.653 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.4 -30.8 70.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.243 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 48' ' ' LEU . 80.1 mt -64.18 -48.87 83.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -28.74 67.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.922 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -81.57 -46.47 14.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.585 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.0 t -83.25 -31.17 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 25.7 t0 -69.77 79.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.307 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.94 67.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.34 -1.3 . . . . 0.0 113.278 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -100.82 -17.7 16.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.682 0.277 . . . . 0.0 111.653 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 96.69 4.59 59.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.352 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -79.75 -5.26 54.93 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.316 0.558 . . . . 0.0 111.338 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.32 9.82 64.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.269 173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 169.42 23.4 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.228 0.537 . . . . 0.0 110.156 -172.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.1 139.77 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 169.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.609 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 51.8 t0 -111.96 177.75 4.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.512 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 75.7 m-85 -54.25 -50.87 82.28 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 118.161 0.437 . . . . 0.0 112.142 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 42.8 Cg_exo -57.9 -43.58 47.76 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.795 1.663 . . . . 0.0 112.249 175.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.609 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.8 mt-10 -62.25 -52.78 62.37 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' HA ' HD13 ' A' ' 63' ' ' ILE . 22.3 t80 -58.24 -49.51 76.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.427 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 69' ' ' LEU . 7.9 mt -66.11 -39.1 89.67 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.651 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -71.38 -48.7 48.3 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.87 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' HB3' ' A' ' 74' ' ' ARG . 22.9 mmt -66.56 -32.89 74.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.447 0.299 . . . . 0.0 111.7 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.9 ttm -63.38 -68.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 -15.5 9.35 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 71' ' ' MET . 77.4 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 110.701 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.234 0.268 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.14 -37.14 84.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.0 111.416 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.68 -35.91 81.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 21.1 mm -71.93 -33.99 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -61.82 -40.86 96.73 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 110.111 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -73.0 -26.22 61.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.676 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.486 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -69.5 -44.98 69.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 22.0 m-85 -56.43 -38.98 72.33 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.475 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -72.6 -32.96 66.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.702 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.4 t -80.69 -48.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.544 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.711 ' HA ' HG11 ' A' ' 108' ' ' VAL . 48.3 m-85 -63.6 -42.17 98.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 110.355 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.846 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.8 t0 -65.32 142.83 58.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.03 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.606 ' HB3' ' CG ' ' A' ' 107' ' ' HIS . 14.9 pttp -88.49 -25.98 22.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.77 -2.14 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.07 37.44 54.14 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.454 -0.794 . . . . 0.0 114.998 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.63 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -74.23 2.73 8.48 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.822 1.311 . . . . 0.0 111.634 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.43 22.76 33.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.533 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.63 ' HB2' HD22 ' A' ' 97' ' ' ASN . 52.5 m-85 -149.26 148.12 29.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.56 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 79.4 mt -113.45 105.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.23 0.538 . . . . 0.0 110.878 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.598 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -109.05 178.92 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.669 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' ' 51' ' ' MET . . . -62.41 -54.32 41.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.736 0.303 . . . . 0.0 111.626 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -48.86 -45.52 41.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.707 175.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.846 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.4 mm-40 -61.1 -48.06 83.42 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 109' ' ' MET . 12.4 mt -54.38 -49.91 68.76 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.16 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.9 mtt180 -65.67 -45.74 81.74 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.09 -175.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CG ' ' HB3' ' A' ' 94' ' ' LYS . 17.3 t60 -49.96 -42.27 48.32 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.418 0.449 . . . . 0.0 111.67 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.711 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -85.7 -34.05 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.506 0.67 . . . . 0.0 110.52 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tpt -77.4 -74.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.384 -167.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.6 t -133.16 -10.26 2.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.639 -0.663 . . . . 0.0 112.658 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 3.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.482 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.69 HD13 ' HG3' ' A' ' 106' ' ' ARG . 3.0 mm? . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.484 0.183 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.16 -32.42 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.178 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.62 -49.95 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 tpt -67.21 -33.81 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 102' ' ' ALA . 71.8 mt -61.84 -44.37 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.078 0 CA-C-O 121.512 0.673 . . . . 0.0 109.574 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.37 -38.12 84.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.127 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.9 -36.68 72.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.209 0.528 . . . . 0.0 111.001 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.408 HG12 HD11 ' A' ' 63' ' ' ILE . 43.2 t -92.46 -30.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.683 -168.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -57.58 122.13 11.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.74 -28.45 15.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.38 -170.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -112.49 -4.12 14.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.347 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.75 73.31 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.276 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -85.39 4.1 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 -4.91 57.59 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.878 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -160.2 176.0 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.295 0.569 . . . . 0.0 110.696 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.78 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.2 mt -93.79 139.08 18.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.607 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -108.68 174.73 5.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 63.2 m-85 -53.71 -52.52 66.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.018 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 75.8 Cg_exo -52.7 -50.58 13.56 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.093 1.862 . . . . 0.0 112.615 173.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.607 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.06 -51.48 69.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 48.1 t80 -57.89 -49.17 77.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.633 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD21 HG23 ' A' ' 85' ' ' ILE . 4.3 mm? -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.808 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.7 m -69.37 -45.59 68.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.565 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 93.2 mmm -71.16 -18.88 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.442 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.06 -68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.71 -16.98 1.11 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.517 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.565 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 15.8 tpt180 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.529 0.681 . . . . 0.0 109.38 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 45.2 mt-10 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -56.14 -51.92 66.2 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.47 -39.33 91.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.884 0.374 . . . . 0.0 110.019 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.499 HG23 HD21 ' A' ' 69' ' ' LEU . 38.2 mm -65.1 -38.36 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.513 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 20.4 mmm180 -60.77 -43.87 97.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 7.6 tp10 -68.63 -31.5 70.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.204 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.2 58.46 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.671 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.508 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.0 m-85 -57.04 -30.54 64.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.159 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.518 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 57.9 ttt180 -77.02 -33.94 57.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.939 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' GLU . 77.4 t -86.72 -37.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.99 0.424 . . . . 0.0 111.572 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HA ' ' CB ' ' A' ' 108' ' ' VAL . 28.5 m-85 -79.25 14.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.464 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.903 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.9 t0 -131.68 150.11 52.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.733 ' HG2' ' HB2' ' A' ' 107' ' ' HIS . 83.1 mttt -71.64 -37.57 70.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.787 0.803 . . . . 0.0 109.627 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.09 -1.06 12.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.145 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.2 46.12 15.71 Favored Glycine 0 CA--C 1.523 0.539 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.942 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.526 HD21 ' HD2' ' A' ' 99' ' ' TYR . 3.6 p-10 -75.69 18.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.816 1.308 . . . . 0.0 112.648 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.27 78.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.914 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HD2' HD21 ' A' ' 97' ' ' ASN . 83.3 m-85 -147.59 137.98 23.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 75.8 mt -109.22 102.42 13.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.314 0.578 . . . . 0.0 110.63 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.457 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 26.5 t -110.43 166.26 11.13 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -65.37 -14.31 60.55 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 -168.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.13 -37.38 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.903 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.0 mm-40 -61.69 -38.18 86.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.797 174.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.2 mm? -54.24 -44.14 71.5 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.696 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.69 ' HG3' HD13 ' A' ' 48' ' ' LEU . 32.4 mmt180 -59.21 -48.95 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.733 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 51.6 t-80 -49.27 -50.18 40.11 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.652 0.595 . . . . 0.0 112.417 177.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.5 ' CB ' ' HA ' ' A' ' 92' ' ' PHE . 8.7 p -84.41 -35.0 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.266 0.555 . . . . 0.0 111.357 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.605 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 4.7 tmm? -81.09 -72.68 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.102 -167.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 p -129.53 -25.93 2.57 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.1 t30 . . . . . 0 C--N 1.321 -0.67 0 O-C-N 122.214 -0.304 . . . . 0.0 111.057 -171.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? . . . . . 0 C--O 1.226 -0.134 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.53 -50.42 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.181 0.446 . . . . 0.0 110.307 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.95 -34.26 77.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.285 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.3 tpp -66.42 -30.93 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.25 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 48' ' ' LEU . 84.3 mt -63.27 -44.95 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -66.8 -25.21 66.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.563 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.61 -41.78 13.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 111.657 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -88.6 -32.26 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -172.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.91 124.57 20.59 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.129 0.49 . . . . 0.0 109.872 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.43 -29.9 13.67 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.435 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -113.34 -13.13 12.93 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.362 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.93 20.09 63.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.997 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -79.08 -2.18 39.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.526 0.663 . . . . 0.0 111.498 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.5 2.44 61.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.138 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -159.13 178.16 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.157 0.503 . . . . 0.0 110.757 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.792 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -93.77 140.21 16.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.286 169.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.613 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.4 t70 -111.96 172.48 6.88 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 51.2 m-85 -54.03 -48.41 94.1 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 118.749 0.704 . . . . 0.0 111.672 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.9 Cg_endo -55.77 -46.28 32.8 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.333 2.022 . . . . 0.0 112.638 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.613 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.3 mt-10 -61.1 -53.66 54.29 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 -176.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 24.7 t80 -58.89 -47.55 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -176.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.6 mt -67.74 -44.75 76.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.217 -177.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -73.85 -43.39 58.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.179 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.13 -30.28 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.755 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.0 ttm -64.53 -68.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.21 -16.83 5.92 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 . . . . . 0 C--N 1.331 -0.234 0 O-C-N 123.818 0.699 . . . . 0.0 111.139 177.246 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.01 -43.11 81.5 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.27 -38.66 91.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.392 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.582 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -62.07 -40.04 85.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -61.74 -47.34 85.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.797 0.808 . . . . 0.0 109.517 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.41 -37.42 83.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.107 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -46.95 86.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 25.1 m-85 -55.07 -42.47 72.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.632 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.03 -33.42 51.07 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.86 -48.72 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.7 m-85 -60.71 -38.72 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.601 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.763 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 21.2 t0 -61.85 143.7 55.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.17 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 -44.05 53.15 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 122.043 0.925 . . . . 0.0 109.325 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -100.37 -4.68 28.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.852 -171.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.14 34.51 79.93 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.291 -0.868 . . . . 0.0 114.941 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.437 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.1 p-10 -74.5 7.41 2.95 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.974 1.387 . . . . 0.0 112.349 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.53 23.61 42.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.439 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.71 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 55.3 m-85 -150.72 150.91 31.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.792 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.9 mt -111.13 102.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.247 0.546 . . . . 0.0 110.986 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.672 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 20.4 m -98.67 165.95 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.86 75.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.708 0.289 . . . . 0.0 110.976 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.699 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.65 -46.49 63.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.834 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.763 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -60.07 -42.01 93.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.18 -47.77 84.08 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.392 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 24.8 ptt180 -56.16 -48.91 75.4 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -50.24 -54.18 22.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.699 0.624 . . . . 0.0 112.584 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.606 HG21 ' HA ' ' A' ' 92' ' ' PHE . 12.7 p -84.85 -33.42 8.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.145 -169.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 ttp -76.43 -73.2 0.29 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.95 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -132.38 -37.75 1.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.246 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 1.032 HD12 ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.53 ' OE1' HD12 ' A' ' 52' ' ' ILE . 12.3 mm100 -57.49 -26.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.944 0.338 . . . . 0.0 110.802 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 7.9 p-10 -60.17 -51.78 68.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.546 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.585 ' HE3' HD23 ' A' ' 105' ' ' LEU . 24.3 ttt -70.38 -27.28 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.53 HD12 ' OE1' ' A' ' 49' ' ' GLN . 10.9 mt -65.23 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.917 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.14 -16.6 59.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 21.9 mm-40 -81.65 -15.54 54.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.297 . . . . 0.0 111.368 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -111.95 -30.63 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 11.8 p-10 -62.77 79.64 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.906 0.86 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.608 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -72.1 -32.95 67.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.2 -17.57 32.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 56' ' ' ASP . . . 79.81 10.9 85.21 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.336 -170.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.92 1.18 36.44 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 111.393 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.35 90.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.536 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -148.85 148.33 29.77 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -77.72 143.85 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 2.4 m-20 -113.63 175.55 5.41 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 85.5 m-85 -55.75 -50.46 86.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.796 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.83 -48.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.544 2.163 . . . . 0.0 113.179 174.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.608 ' HG2' ' HB1' ' A' ' 57' ' ' ALA . 61.7 mt-10 -65.0 -50.99 64.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.782 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.512 ' HD1' HG21 ' A' ' 63' ' ' ILE . 45.5 t80 -58.88 -46.26 88.26 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.86 -40.83 96.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.595 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.8 m -69.72 -44.1 71.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.108 0.48 . . . . 0.0 110.832 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.98 -33.55 76.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 ttt -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 121.294 0.568 . . . . 0.0 109.537 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.89 -19.08 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.847 -173.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.3 tt0 . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -37.39 82.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.55 0.214 . . . . 0.0 111.139 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.3 -37.1 82.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.539 0.209 . . . . 0.0 110.927 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.562 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 47.2 mm -65.04 -38.17 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 90.5 mtt180 -66.81 -41.97 86.68 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.278 0.561 . . . . 0.0 109.851 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.22 -42.97 96.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.315 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.67 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.752 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 9.0 m-85 -58.37 -34.33 70.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.452 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -71.91 -38.84 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.993 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.698 ' O ' HG21 ' A' ' 108' ' ' VAL . 71.5 t -75.12 -45.15 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.956 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.754 ' HA ' HG11 ' A' ' 108' ' ' VAL . 54.0 m-85 -77.73 16.69 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.838 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 43.4 t0 -125.17 139.74 53.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 4.9 mtpm? -72.88 -34.38 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.55 12.69 12.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.891 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.513 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 42.35 45.44 5.31 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.448 HD22 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -78.84 5.12 12.15 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.357 1.079 . . . . 0.0 111.462 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.78 22.88 34.82 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.483 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HB2' HD22 ' A' ' 97' ' ' ASN . 62.4 m-85 -150.71 144.23 25.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 109.95 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' A' ' 63' ' ' ILE . 71.2 mt -109.46 103.95 16.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 -173.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.663 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 30.5 t -106.02 -178.84 3.77 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB1' HG13 ' A' ' 52' ' ' ILE . . . -68.3 -54.87 14.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 1.032 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -50.53 -43.67 56.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 110.979 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.838 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -57.23 -52.95 63.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.725 176.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.585 HD23 ' HE3' ' A' ' 51' ' ' MET . 27.0 tp -59.37 -50.44 73.96 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.723 -173.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.486 ' CD ' HD22 ' A' ' 48' ' ' LEU . 74.5 mtt180 -62.24 -57.01 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.649 -175.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 53.3 t-80 -50.62 -40.65 53.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.826 0.704 . . . . 0.0 111.687 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.754 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -86.72 -38.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.151 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.461 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 40.0 ttp -69.8 -73.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.559 -174.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 m -134.26 -43.46 0.78 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 11.7 m120 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.687 -166.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.801 HD23 ' HD2' ' A' ' 106' ' ' ARG . 18.5 mt . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 120.426 0.155 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -57.06 -37.57 72.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.799 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.7 -53.58 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.525 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.6 tpt -61.72 -38.62 88.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.698 HG13 ' HB1' ' A' ' 102' ' ' ALA . 31.2 mt -57.24 -43.13 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.469 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.6 -22.34 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.417 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -79.39 -33.85 42.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.256 0.55 . . . . 0.0 110.163 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -91.58 -30.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.361 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -61.24 120.9 11.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.391 0.615 . . . . 0.0 110.078 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.67 -31.73 12.12 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.542 -171.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -107.95 -14.72 14.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.369 -174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 20.46 59.85 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.198 -1.001 . . . . 0.0 114.067 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -79.97 -1.66 40.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 111.333 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.65 63.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.459 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.0 t -159.86 178.68 9.51 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.138 0.494 . . . . 0.0 110.424 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.46 141.2 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 170.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 t70 -112.16 174.87 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.51 ' O ' HD22 ' A' ' 69' ' ' LEU . 43.1 m-85 -54.68 -50.99 82.55 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 118.678 0.672 . . . . 0.0 111.261 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.2 Cg_exo -54.87 -46.35 33.96 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.981 1.787 . . . . 0.0 112.606 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.58 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 39.8 mt-10 -61.23 -53.39 57.53 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -56.25 -46.02 79.79 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.426 0.454 . . . . 0.0 111.006 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD23 HG23 ' A' ' 85' ' ' ILE . 3.9 mm? -65.03 -42.57 94.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.1 m -72.01 -44.61 63.18 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.887 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmt -64.25 -30.0 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.384 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.71 -66.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 172.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -16.26 0.98 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.89 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.139 0.495 . . . . 0.0 109.743 176.711 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 48.0 mt-10 -57.55 -43.73 84.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.304 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -65.53 -35.34 80.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 109.965 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.538 HG23 HD23 ' A' ' 69' ' ' LEU . 39.4 mm -68.66 -40.33 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.331 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 18.9 ptp180 -66.85 -35.54 80.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.604 -0.439 . . . . 0.0 109.931 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 83' ' ' GLU . 43.0 mt-10 -67.61 -33.66 75.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.76 85.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 18.3 m-85 -57.34 -37.01 71.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.259 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -76.13 -34.34 59.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.373 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 108' ' ' VAL . 90.9 t -86.32 -38.76 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HA ' HG12 ' A' ' 108' ' ' VAL . 39.5 m-85 -72.28 -30.31 64.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.174 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.893 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.5 t70 -71.9 148.4 46.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.832 170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 98.6 mttt -66.87 -44.98 79.51 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.176 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -110.53 15.29 22.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.449 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.45 39.87 15.32 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.257 -0.883 . . . . 0.0 114.975 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -77.78 21.13 0.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.754 1.277 . . . . 0.0 112.581 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.61 22.6 74.87 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.588 173.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.2 m-85 -147.32 146.29 29.65 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 76.5 mt -110.21 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.709 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 19.3 m -100.84 158.9 15.63 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 52' ' ' ILE . . . -52.68 -53.35 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.266 . . . . 0.0 111.419 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -49.54 -46.21 48.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.957 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.893 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -64.34 -47.18 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 109' ' ' MET . 62.7 tp -55.19 -40.02 70.25 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.217 -175.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.801 ' HD2' HD23 ' A' ' 48' ' ' LEU . 75.3 mtt180 -78.58 -57.77 3.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.444 -175.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.37 -35.18 64.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.502 0.501 . . . . 0.0 111.653 -172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 92' ' ' PHE . 2.5 p -85.36 -44.29 17.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.729 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.426 ' SD ' HG22 ' A' ' 110' ' ' THR . 0.0 OUTLIER -75.57 -75.13 0.19 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.426 HG22 ' SD ' ' A' ' 109' ' ' MET . 1.2 p -134.1 -43.85 0.79 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.514 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 6.4 t-20 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.466 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 1.049 HD21 ' HA ' ' A' ' 103' ' ' ALA . 16.2 tp . . . . . 0 C--O 1.233 0.187 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.515 ' HA ' HD11 ' A' ' 52' ' ' ILE . 9.8 tt0 -52.71 -29.98 29.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.13 -44.92 90.7 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.315 0.578 . . . . 0.0 110.426 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.606 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 0.1 OUTLIER -62.87 -34.36 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.427 176.38 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 49' ' ' GLN . 66.2 mt -64.18 -34.58 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.817 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.32 -22.49 54.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.76 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.93 -34.5 29.84 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.249 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.07 -30.77 18.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.07 0.462 . . . . 0.0 110.344 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.4 109.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.627 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.76 -43.78 7.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.929 -171.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -125.05 -4.98 7.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.718 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.53 77.61 1.17 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.046 -174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.8 -29.16 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.532 -0.834 . . . . 0.0 110.247 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 -2.73 80.62 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -159.18 177.34 11.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.455 -1.373 . . . . 0.0 108.786 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.522 HG21 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -96.03 146.33 7.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 9.0 t70 -110.68 175.96 5.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 84.4 m-85 -55.71 -56.86 25.27 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 112.744 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.475 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 18.9 Cg_endo -60.62 -34.38 92.36 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.755 1.637 . . . . 0.0 112.017 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.9 mt-10 -72.6 -43.34 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.664 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 63' ' ' ILE . 62.0 t80 -60.05 -42.07 93.68 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.208 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -63.33 -33.35 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.322 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -80.68 -41.58 23.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.137 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 -29.38 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 36.5 ttm -66.16 -68.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.1 -13.83 1.36 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.102 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.8 tpm_? . . . . . 0 N--CA 1.452 -0.348 0 O-C-N 123.552 0.533 . . . . 0.0 109.666 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 86' ' ' ARG . 24.7 tt0 . . . . . 0 C--O 1.223 -0.326 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.661 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 5.5 mp0 -60.2 -43.59 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.551 0.215 . . . . 0.0 111.531 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.24 -38.99 86.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.256 0.55 . . . . 0.0 109.604 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.433 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 33.9 mm -67.3 -35.84 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.656 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.661 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 29.2 mtp85 -62.4 -42.72 99.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.757 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 36.5 tt0 -69.49 -28.62 66.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 109.906 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 91' ' ' VAL . . . -69.56 -42.68 74.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.809 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.7 m-85 -54.83 -35.26 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 111.42 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 87' ' ' GLU . 59.6 mtp180 -71.57 -37.73 71.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.294 177.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 88' ' ' ALA . 2.4 p -86.49 -21.93 7.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -173.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.438 ' C ' HG11 ' A' ' 108' ' ' VAL . 32.0 m-85 -96.98 15.05 23.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.213 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.685 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 13.6 t70 -126.09 132.67 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.728 ' HG2' ' OE1' ' A' ' 104' ' ' GLU . 9.7 ptmm? -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 -172.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -107.41 13.39 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.713 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 48.15 36.82 16.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.157 0.823 . . . . 0.0 115.157 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.41 19.53 1.23 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.335 1.068 . . . . 0.0 113.393 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.23 23.65 62.84 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.903 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.649 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 46.0 m-85 -150.53 162.28 40.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.522 ' HB ' HG21 ' A' ' 63' ' ' ILE . 67.7 mt -122.86 104.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.17 0.509 . . . . 0.0 111.131 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.517 ' HB3' ' CG ' ' A' ' 104' ' ' GLU . 22.9 t -101.42 168.2 9.67 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -54.78 30.6 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.143 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 1.049 ' HA ' HD21 ' A' ' 48' ' ' LEU . . . -52.79 -36.28 57.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.492 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.728 ' OE1' ' HG2' ' A' ' 94' ' ' LYS . 16.4 mm-40 -60.64 -49.92 75.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.365 174.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 109' ' ' MET . 10.4 mt -53.21 -44.57 68.11 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.622 -174.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -78.72 -53.43 7.15 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.165 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 32.6 m80 -66.83 -25.95 66.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 104' ' ' GLU . 8.1 p -85.29 -47.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.469 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tmm? -69.11 -54.03 17.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.492 -172.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -128.11 -41.45 1.6 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.094 -0.379 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.662 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.2 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.2 mm? . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.12 -31.8 70.75 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.461 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -51.03 71.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.4 tpp -64.09 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.1 mt -60.79 -44.43 97.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.529 ' HA ' ' OD1' ' A' ' 56' ' ' ASP . 12.4 m120 -71.79 -23.22 61.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.46 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.26 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.031 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.82 -33.27 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD1' ' HA ' ' A' ' 53' ' ' ASN . 8.4 p-10 -71.87 87.0 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.533 1.158 . . . . 0.0 112.018 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . . . -69.59 -30.47 68.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.47 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.01 -17.07 53.77 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.509 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 76.15 16.78 80.44 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.846 -170.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -88.18 0.65 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 111.526 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' H ' ' HB2' ' A' ' 56' ' ' ASP . . . 80.3 13.48 81.78 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.598 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -158.04 147.56 19.77 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.895 0.379 . . . . 0.0 110.089 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.655 HG21 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -77.85 140.84 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.533 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 2.0 m-20 -113.33 173.4 6.42 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 71.9 m-85 -52.89 -48.54 91.08 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.278 175.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.3 Cg_exo -54.4 -53.85 5.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.978 1.786 . . . . 0.0 112.831 174.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.595 ' OE1' ' HA ' ' A' ' 63' ' ' ILE . 56.5 mt-10 -60.04 -52.44 65.34 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.452 ' HD1' HG23 ' A' ' 63' ' ' ILE . 47.1 t80 -59.31 -47.23 86.16 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.261 0.351 . . . . 0.0 110.482 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.8 mt -66.48 -45.18 80.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.966 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.5 m -70.42 -46.69 63.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.726 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 mmt -60.95 -28.48 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.89 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 ttm -72.97 -69.98 0.38 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.15 -15.68 2.47 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 . . . . . 0 N--CA 1.454 -0.238 0 O-C-N 123.707 0.629 . . . . 0.0 110.367 173.126 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.48 -38.02 89.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.047 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -32.31 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 41.1 mm -66.98 -35.96 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.235 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -63.17 -45.4 92.0 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.411 0.624 . . . . 0.0 110.009 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.4 mm-40 -69.24 -25.93 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.022 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.51 79.95 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.891 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HA ' HD13 ' A' ' 100' ' ' ILE . 16.9 m-85 -57.7 -35.63 70.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.119 0.485 . . . . 0.0 111.038 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -76.22 -31.66 58.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.033 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 87' ' ' GLU . 81.8 t -83.32 -43.5 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.588 0.232 . . . . 0.0 111.219 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.788 ' HA ' HG13 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.69 16.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.0 111.314 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.879 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 53.3 t0 -132.42 142.87 49.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HD3' ' CG ' ' A' ' 107' ' ' HIS . 15.7 pttp -87.38 -16.08 35.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 0.0 110.068 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -118.33 1.83 11.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.659 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.25 41.7 11.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.754 1.061 . . . . 0.0 115.754 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.491 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -77.35 18.59 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.772 1.286 . . . . 0.0 112.236 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.92 21.51 78.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.91 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' HD22 ' A' ' 97' ' ' ASN . 63.5 m-85 -150.45 141.96 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.655 ' HB ' HG21 ' A' ' 63' ' ' ILE . 83.2 mt -110.58 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -173.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.8 t -108.73 171.7 7.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' A' ' 52' ' ' ILE . . . -57.83 -54.29 48.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.45 -46.25 56.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.649 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.879 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.3 mm-40 -61.21 -51.8 67.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.631 0.729 . . . . 0.0 109.113 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 109' ' ' MET . 63.6 tp -58.34 -43.23 88.18 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.213 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.519 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 84.5 mtt180 -77.7 -45.12 25.77 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.626 -175.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.477 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 65.9 t-80 -50.99 -37.28 43.93 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.164 0.507 . . . . 0.0 111.257 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.788 HG13 ' HA ' ' A' ' 92' ' ' PHE . 7.2 p -86.96 -40.69 14.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.899 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.641 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.12 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -168.034 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.88 -16.85 2.86 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.519 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 7.7 t30 . . . . . 0 C--N 1.327 -0.405 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -173.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 111.28 0.104 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -63.59 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 110.098 177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.14 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.048 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.2 tpt -58.58 -36.52 74.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.717 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 48' ' ' LEU . 62.1 mt -61.18 -46.29 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.288 0.566 . . . . 0.0 109.627 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.63 -21.71 64.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.57 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.59 -43.92 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.224 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.2 t -97.18 -31.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -167.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -67.05 123.39 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.259 0.552 . . . . 0.0 110.291 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.91 15.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.575 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -118.63 -3.03 10.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.491 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.79 32.12 73.7 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.102 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -92.31 -0.48 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.331 0.566 . . . . 0.0 111.053 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.73 -0.81 56.64 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.706 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -158.88 175.03 14.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.708 HD13 ' HG3' ' A' ' 71' ' ' MET . 0.1 OUTLIER -94.69 142.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.632 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.1 m-20 -113.0 179.38 3.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 86' ' ' ARG . 70.8 m-85 -55.75 -52.54 71.37 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.854 174.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.1 Cg_endo -52.73 -50.58 13.55 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.95 -52.23 66.31 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 71' ' ' MET . 73.7 t80 -61.54 -48.84 79.2 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 HG23 ' A' ' 85' ' ' ILE . 3.7 mm? -58.78 -45.46 89.76 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.252 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.576 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 48.3 m -63.79 -35.3 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 111.401 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.708 ' HG3' HD13 ' A' ' 63' ' ' ILE . 97.2 mmm -51.95 -43.03 63.33 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.556 0.217 . . . . 0.0 110.934 173.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 74' ' ' ARG . 53.9 tpp -74.53 -60.81 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 70' ' ' THR . . . -46.81 -6.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.476 ' H ' ' C ' ' A' ' 72' ' ' MET . 32.0 mtm180 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 117.908 0.322 . . . . 0.0 111.495 -171.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 33.6 mt-10 . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 111.302 0.112 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -69.53 -40.68 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.536 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 50.3 mm -60.5 -41.65 88.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.347 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 43.3 mtm180 -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.455 0.645 . . . . 0.0 110.096 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.93 -33.01 70.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.558 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.13 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.151 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.666 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.1 m-85 -59.64 -30.82 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -76.02 -35.91 59.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.732 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.46 -47.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.526 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.485 ' CD2' HG13 ' A' ' 108' ' ' VAL . 13.5 m-85 -60.7 -44.43 96.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.953 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.96 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 12.3 t70 -68.73 148.64 50.07 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.323 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 98.4 mttt -70.66 -46.21 63.66 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.663 0.744 . . . . 0.0 110.423 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 7.8 p-10 -106.8 9.6 30.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.101 -172.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 49.09 38.82 25.67 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 114.754 -1.112 . . . . 0.0 115.069 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 3.5 p-10 -76.51 21.85 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.849 1.324 . . . . 0.0 113.187 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.03 21.39 78.44 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.423 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.666 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 65.4 m-85 -146.51 148.85 32.62 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.787 HG21 HD21 ' A' ' 105' ' ' LEU . 38.5 mt -106.93 102.36 13.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.102 0.477 . . . . 0.0 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.678 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 6.6 m -97.81 -179.78 4.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.91 16.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -51.99 -32.57 34.28 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.073 0.463 . . . . 0.0 111.246 174.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.96 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.1 mm-40 -75.41 -42.93 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.502 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.787 HD21 HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.36 -45.55 65.8 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.498 -179.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.478 ' HD2' HD13 ' A' ' 48' ' ' LEU . 88.1 mtt180 -76.29 -41.09 49.94 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.691 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.461 ' CG ' ' HG2' ' A' ' 94' ' ' LYS . 47.9 t60 -49.85 -45.75 50.68 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.235 0.54 . . . . 0.0 111.537 175.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 92' ' ' PHE . 11.4 p -84.18 -38.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.538 -177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.697 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 16.7 ttp -74.3 -73.0 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.853 -169.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -129.8 -15.08 3.95 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -175.227 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 102' ' ' ALA . 4.5 mm? . . . . . 0 CA--C 1.528 0.104 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HA ' HD13 ' A' ' 52' ' ' ILE . 50.6 tt0 -50.84 -40.46 56.0 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -47.36 85.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.708 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.7 tpt -64.22 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 49' ' ' GLN . 79.6 mt -62.7 -49.16 84.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.39 -19.63 64.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.023 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.44 -43.26 17.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -32.1 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -65.26 123.99 21.01 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.287 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.59 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -97.28 -33.46 11.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.195 -174.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -119.24 5.54 11.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.079 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.56 66.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.777 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.46 1.63 52.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.8 4.52 67.33 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.392 172.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.0 t -160.59 176.98 10.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' HD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -93.25 141.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 168.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.63 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.6 t0 -112.87 178.49 4.27 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.8 m-85 -57.5 -50.61 87.15 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 118.85 0.75 . . . . 0.0 111.451 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 53.1 Cg_exo -54.08 -50.3 14.08 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.241 1.961 . . . . 0.0 112.607 174.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.63 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 2.4 mp0 -58.18 -52.03 67.27 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.429 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' HD1' HG23 ' A' ' 63' ' ' ILE . 34.4 t80 -57.94 -51.71 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.458 0.17 . . . . 0.0 110.787 -174.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 69' ' ' LEU . 3.5 mm? -68.67 -53.98 19.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.03 -46.32 68.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.777 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 51.0 tpp -61.83 -35.67 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.364 0.126 . . . . 0.0 111.048 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 ttp -63.44 -66.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.573 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.97 -19.16 11.31 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.5 tpm_? . . . . . 0 C--N 1.33 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.763 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.99 -46.24 82.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.357 0.598 . . . . 0.0 110.52 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.06 -40.76 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.264 -174.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 30.3 mm -70.21 -37.55 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.445 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -63.85 -40.94 97.78 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.492 0.663 . . . . 0.0 109.801 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.1 -32.23 73.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.212 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.68 84.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.6 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 20.1 m-85 -58.16 -30.92 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.917 175.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -77.9 -40.55 39.49 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' A' ' 93' ' ' ASP . 77.5 t -82.39 -39.38 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.082 0.468 . . . . 0.0 111.48 -173.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.736 ' HA ' HG13 ' A' ' 108' ' ' VAL . 44.2 m-85 -74.43 17.24 0.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.73 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.923 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.9 t0 -131.12 149.69 52.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -80.64 -32.66 36.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 109.517 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -112.16 -1.24 15.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.071 -175.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.558 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.87 42.79 29.95 Favored Glycine 0 C--O 1.228 -0.244 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.945 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.562 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.4 p-10 -75.8 20.86 0.17 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.79 1.295 . . . . 0.0 112.998 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.6 21.88 79.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.92 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.562 ' HB2' HD22 ' A' ' 97' ' ' ASN . 56.2 m-85 -148.27 141.06 24.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 76.6 mt -104.58 103.52 15.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.281 0.562 . . . . 0.0 110.305 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.65 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 7.1 m -100.63 166.81 10.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.971 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 48' ' ' LEU . . . -55.13 -54.79 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -53.0 -40.76 64.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.16 0.505 . . . . 0.0 111.853 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.923 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.3 mm-40 -63.04 -43.79 97.71 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 21.1 mt -57.75 -40.16 79.05 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.222 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 10.7 ptt180 -65.82 -47.6 74.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.965 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -54.75 -42.38 71.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.757 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.736 HG13 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -84.51 -48.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.088 0.47 . . . . 0.0 111.326 -176.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.447 ' N ' HG12 ' A' ' 108' ' ' VAL . 10.6 tpt -74.57 -72.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.625 -166.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -122.01 -36.13 3.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.443 HD21 ' HA ' ' A' ' 111' ' ' ASN . 3.4 m120 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 ' HA ' ' A' ' 103' ' ' ALA . 9.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.09 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.371 0.605 . . . . 0.0 110.029 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.04 -47.73 79.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.469 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 tpp -63.98 -31.47 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 48' ' ' LEU . 75.7 mt -65.63 -38.65 82.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -32.58 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.136 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -71.09 -37.02 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 t -85.36 -26.98 6.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.284 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.87 74.8 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.662 0.744 . . . . 0.0 111.209 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.26 62.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.835 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -116.56 6.06 13.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -169.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.36 70.04 1.36 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 119.967 -1.111 . . . . 0.0 112.548 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -140.06 -20.08 0.89 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.489 . . . . 0.0 111.859 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.44 6.6 80.62 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.445 ' HG1' ' HB3' ' A' ' 99' ' ' TYR . 10.2 t -158.63 -178.42 7.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.507 ' CG2' ' HB ' ' A' ' 100' ' ' ILE . 1.6 tt -93.41 147.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 8.2 m-20 -102.65 167.58 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 39.3 m-85 -54.54 -55.71 34.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 118.654 0.661 . . . . 0.0 111.788 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 23.2 Cg_endo -61.77 -36.48 73.67 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.778 1.652 . . . . 0.0 111.678 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' HB3' ' H ' ' A' ' 64' ' ' ASP . 6.8 tt0 -62.53 -54.91 32.85 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.997 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.17 -45.61 79.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD22 HG22 ' A' ' 85' ' ' ILE . 3.7 mm? -63.94 -40.41 96.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -76.38 -43.46 40.58 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -36.53 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.751 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.7 ttp -62.41 -63.75 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.14 -15.99 4.52 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 0.0 110.476 179.365 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 20.4 tt0 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 -36.13 72.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.712 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.8 -45.62 60.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.527 HG22 HD22 ' A' ' 69' ' ' LEU . 35.3 mm -67.78 -37.19 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.225 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 16.5 mtp180 -61.72 -42.72 99.32 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.141 0.496 . . . . 0.0 109.978 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.0 tt0 -73.44 -26.61 61.02 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.67 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -66.8 -44.14 82.03 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.7 m-85 -52.83 -41.09 63.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -74.91 -25.62 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.611 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 87' ' ' GLU . 41.2 t -79.86 -44.0 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.772 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 5.3 m-85 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.424 0.63 . . . . 0.0 109.398 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.663 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 9.8 t0 -57.97 141.7 48.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.649 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 97.0 mttt -76.26 -41.18 49.81 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 109.672 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -105.07 2.59 29.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.724 -170.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.28 35.88 51.35 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.848 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.471 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -75.01 -0.59 19.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.785 1.293 . . . . 0.0 111.657 178.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.5 22.84 27.96 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.368 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.4 m-85 -152.55 146.73 25.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.93 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.507 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 65.7 mt -108.99 101.84 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.595 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.64 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -101.71 -179.36 3.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -62.44 -54.59 37.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.803 0.274 . . . . 0.0 111.337 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -48.35 -44.91 34.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.099 0.476 . . . . 0.0 111.27 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.3 mm-40 -63.94 -47.65 79.62 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.577 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' A' ' 109' ' ' MET . 42.5 tp -57.21 -45.48 83.76 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.782 -174.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 6.8 mtp180 -63.61 -44.37 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.226 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.494 ' CG ' ' HG2' ' A' ' 94' ' ' LYS . 6.6 t-80 -48.26 -45.63 34.75 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.735 0.647 . . . . 0.0 112.02 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.772 ' HB ' ' HA ' ' A' ' 92' ' ' PHE . 12.1 p -85.61 -30.31 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.58 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 19.7 ttt -81.02 -73.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.228 -166.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -129.45 -20.07 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.618 -0.676 . . . . 0.0 112.043 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 55.5 t30 . . . . . 0 C--N 1.33 -0.251 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 1.016 HD13 ' HD2' ' A' ' 106' ' ' ARG . 2.7 mm? . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -57.3 -31.3 65.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -58.01 -57.62 12.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.23 0.538 . . . . 0.0 109.776 174.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 16.2 tpt -59.58 -32.74 70.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.968 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.4 mt -64.49 -39.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' HA ' ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -74.42 -19.59 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.659 -178.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -82.57 -32.09 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 51' ' ' MET . 79.8 t -84.93 -33.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' HA ' ' A' ' 53' ' ' ASN . 2.7 p30 -61.65 131.88 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 110.978 177.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.1 -29.08 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.735 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -122.05 -0.73 9.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.489 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.72 25.78 48.65 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.669 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -76.99 -6.75 53.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.657 1.229 . . . . 0.0 111.809 171.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.28 -1.21 86.04 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.918 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -144.56 159.57 42.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -88.03 142.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 171.149 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.9 t70 -110.07 173.13 6.47 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.677 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 97.4 m-85 -50.61 -55.45 26.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.483 0.583 . . . . 0.0 112.336 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 34.8 Cg_exo -60.06 -38.64 76.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.919 1.746 . . . . 0.0 112.749 177.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 46.8 mt-10 -68.33 -42.88 78.66 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.837 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 63' ' ' ILE . 77.6 t80 -56.36 -49.01 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.743 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 69' ' ' LEU . 4.1 mm? -64.06 -34.66 78.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.014 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 m -76.97 -45.08 28.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.417 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.694 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 21.3 mmt -63.17 -37.49 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.322 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 tpt -64.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -14.62 0.26 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.694 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 12.5 mmm180 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.177 0.513 . . . . 0.0 110.408 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 43.8 tt0 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.43 -38.89 88.41 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.55 -38.69 91.88 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 51.0 mm -60.61 -40.37 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.095 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 47.4 mtt180 -61.85 -42.63 99.27 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 91' ' ' VAL . 27.3 tt0 -73.1 -27.93 61.99 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.484 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.945 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.739 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 7.9 m-85 -59.81 -29.68 68.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.775 174.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 90' ' ' ARG . 39.2 ttt180 -75.55 -34.38 60.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.068 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 87' ' ' GLU . 94.8 t -82.1 -40.86 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.53 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.718 ' HA ' HG21 ' A' ' 108' ' ' VAL . 56.8 m-85 -77.9 17.08 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.496 . . . . 0.0 111.597 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.858 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 47.6 t0 -129.98 144.32 51.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -77.66 -26.7 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.414 0.626 . . . . 0.0 109.88 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -116.14 0.65 13.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.827 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.4 45.81 16.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.514 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -77.03 16.59 0.53 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.834 1.317 . . . . 0.0 112.175 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.1 66.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.885 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.739 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 63.4 m-85 -148.75 145.09 27.46 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 86.5 mt -110.08 100.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.558 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 23.1 t -99.51 163.21 12.6 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' HB3' ' CG ' ' A' ' 51' ' ' MET . . . -53.63 -53.96 44.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.725 0.297 . . . . 0.0 111.029 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.576 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . . . -50.34 -49.12 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.111 175.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.858 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -58.65 -50.33 74.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.3 0.571 . . . . 0.0 109.683 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.762 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.5 tt -58.57 -48.09 82.06 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.914 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 1.016 ' HD2' HD13 ' A' ' 48' ' ' LEU . 50.8 mtt180 -74.22 -29.82 61.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.665 -174.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.709 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 41.8 m80 -80.24 -24.39 40.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.604 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 92' ' ' PHE . 33.8 m -88.02 -25.58 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.833 0.825 . . . . 0.0 108.943 171.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.762 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 18.1 ttt -77.02 -73.31 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.748 -175.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 -26.68 2.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.077 0.465 . . . . 0.0 111.637 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.709 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.3 m120 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.4 mm? . . . . . 0 CA--C 1.523 -0.092 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.8 mt-30 -61.08 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.348 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.81 -48.9 79.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.218 0.532 . . . . 0.0 109.909 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt -61.1 -32.42 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.421 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 49' ' ' GLN . 79.3 mt -65.25 -45.92 92.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.968 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.88 -33.19 75.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.124 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.15 -42.86 18.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 111.351 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -78.0 -32.92 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.701 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -59.22 128.94 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.701 0.763 . . . . 0.0 111.423 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.92 -38.84 8.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.388 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -96.57 -17.04 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.614 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.6 20.37 64.07 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.996 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -81.26 -6.1 58.5 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 117.527 0.664 . . . . 0.0 111.632 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 7.26 55.86 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.526 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -159.64 170.07 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.515 . . . . 0.0 110.645 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.506 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -87.48 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.559 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.9 t70 -112.84 178.66 4.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.48 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 73.5 m-85 -55.75 -52.43 72.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 118.48 0.582 . . . . 0.0 111.448 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 11.7 Cg_endo -55.9 -44.4 47.76 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.056 1.837 . . . . 0.0 112.581 176.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.7 mt-10 -64.38 -53.17 52.79 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.476 ' HD1' HG23 ' A' ' 63' ' ' ILE . 44.0 t80 -58.17 -47.38 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.96 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD21 HG23 ' A' ' 85' ' ' ILE . 4.1 mm? -64.69 -45.03 88.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 88.1 m -65.82 -48.02 73.09 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.036 -175.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -32.86 74.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.007 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.2 tpp -74.23 -69.31 0.46 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.387 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -15.36 2.86 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 70' ' ' THR . 33.8 ttt180 . . . . . 0 C--O 1.231 0.111 0 O-C-N 123.57 0.544 . . . . 0.0 110.586 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.4 tt0 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 16.7 mm-40 -52.61 -46.21 66.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 111.029 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -39.76 93.8 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.919 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.494 HG23 HD21 ' A' ' 69' ' ' LEU . 47.9 mm -62.0 -39.61 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.921 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 80.2 mtp180 -62.04 -45.23 94.48 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.466 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.95 -27.5 67.51 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.56 69.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -55.79 -35.89 66.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.591 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -64.61 -48.89 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -86.35 -33.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.871 -168.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.782 ' HA ' HG12 ' A' ' 108' ' ' VAL . 45.2 m-85 -83.3 14.8 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 111.193 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 1.011 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 14.9 t70 -127.06 148.4 50.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.2 -46.49 86.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.469 0.652 . . . . 0.0 110.512 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 13.1 p-10 -111.93 16.91 20.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.093 -172.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.51 37.42 3.63 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 4.1 p-10 -76.57 22.4 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.0 21.94 75.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.149 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -149.82 152.06 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.506 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 73.9 mt -115.51 112.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.052 0.454 . . . . 0.0 110.666 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.744 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.6 t -110.99 174.74 5.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -68.85 -54.19 17.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.587 0.232 . . . . 0.0 111.609 -175.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.41 30.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.263 0.554 . . . . 0.0 111.432 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 1.011 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -69.56 -39.27 77.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.007 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 109' ' ' MET . 47.1 mt -59.07 -46.63 87.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.898 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.808 ' HG3' ' HB2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -66.61 -39.91 88.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.944 -177.307 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 104' ' ' GLU . 7.5 t-80 -48.82 -51.91 26.96 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.823 0.702 . . . . 0.0 111.992 173.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.782 HG12 ' HA ' ' A' ' 92' ' ' PHE . 11.6 p -86.95 -40.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.526 -172.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -71.15 -69.57 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.768 -168.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -131.0 -40.14 1.18 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.808 ' HB2' ' HG3' ' A' ' 106' ' ' ARG . 16.2 m120 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.385 0.612 . . . . 0.0 111.708 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 102' ' ' ALA . 3.5 mm? . . . . . 0 N--CA 1.46 0.068 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 52' ' ' ILE . 8.7 tt0 -58.2 -35.24 71.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.155 0.502 . . . . 0.0 109.713 174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.11 -50.96 69.6 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.745 0.784 . . . . 0.0 109.67 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 tpp -63.73 -30.71 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.724 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 49' ' ' GLN . 75.7 mt -63.71 -43.55 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -69.15 -22.42 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.488 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -89.92 -27.76 19.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.2 -32.81 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -56.63 115.57 2.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 122.035 0.921 . . . . 0.0 111.593 179.093 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.644 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -99.33 -44.21 6.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.253 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.99 -17.07 28.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 87.04 17.6 59.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.728 -0.669 . . . . 0.0 113.63 175.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -89.17 4.58 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.346 0.573 . . . . 0.0 111.125 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.67 1.11 89.21 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.63 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -142.6 156.62 45.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.946 0.403 . . . . 0.0 110.432 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.64 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -80.04 141.31 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.302 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.585 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.7 m-20 -112.52 172.2 7.06 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -176.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 95.8 m-85 -52.47 -51.26 74.58 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 118.322 0.51 . . . . 0.0 110.906 175.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 77.5 Cg_exo -52.98 -48.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.362 2.042 . . . . 0.0 112.897 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.644 ' HG2' ' HB1' ' A' ' 57' ' ' ALA . 49.8 mt-10 -65.92 -53.14 43.18 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.553 ' HD1' HG21 ' A' ' 63' ' ' ILE . 39.9 t80 -60.07 -44.99 94.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.396 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' HA ' HD22 ' A' ' 69' ' ' LEU . 12.2 mt -61.64 -41.26 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.691 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.4 m -74.51 -38.88 62.71 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.608 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.31 -37.68 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.0 ttm -71.48 -68.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.107 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.28 -15.73 0.68 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.018 0.437 . . . . 0.0 110.711 177.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.8 -35.31 76.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.169 0.509 . . . . 0.0 110.717 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.01 -50.44 55.49 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.403 0.62 . . . . 0.0 109.483 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.571 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 30.8 mm -61.31 -34.91 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.08 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.511 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 71.2 ttt180 -60.75 -42.4 97.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.575 176.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.52 ' O ' HG21 ' A' ' 91' ' ' VAL . 32.3 tt0 -69.3 -32.73 72.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.561 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.74 90.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.906 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' HA ' HD12 ' A' ' 100' ' ' ILE . 14.8 m-85 -56.75 -36.75 70.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -78.08 -25.74 47.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.959 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 87' ' ' GLU . 89.6 t -83.24 -38.95 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.914 0.388 . . . . 0.0 111.429 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.736 ' HA ' HG23 ' A' ' 108' ' ' VAL . 57.5 m-85 -79.16 15.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.497 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.617 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 37.3 t0 -125.46 144.83 50.35 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -73.41 -41.48 63.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.527 0.679 . . . . 0.0 110.599 175.234 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.68 0.6 24.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.676 -171.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.98 36.92 35.2 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.684 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -75.24 1.62 13.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.251 1.025 . . . . 0.0 112.218 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.96 42.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.486 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.684 ' HB2' HD22 ' A' ' 97' ' ' ASN . 62.6 m-85 -149.49 142.71 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.64 ' HB ' HG22 ' A' ' 63' ' ' ILE . 82.8 mt -110.26 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.367 0.603 . . . . 0.0 110.302 -173.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.685 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 12.7 m -101.64 176.5 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.577 ' HB3' HD12 ' A' ' 48' ' ' LEU . . . -64.42 -54.2 36.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.8 -41.51 61.77 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.827 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 4.4 mm-40 -57.07 -46.56 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.341 0.591 . . . . 0.0 109.419 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.13 -51.37 68.15 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.034 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 26.6 ptt180 -58.58 -34.58 71.25 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -175.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -74.47 -41.56 60.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.339 0.59 . . . . 0.0 110.178 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.736 HG23 ' HA ' ' A' ' 92' ' ' PHE . 17.5 m -86.52 -30.83 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.993 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.32 -74.71 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.73 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -132.33 -39.59 1.03 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.733 0.697 . . . . 0.0 112.549 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.7 m120 . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 52' ' ' ILE . 8.1 mp . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.633 ' HA ' HD11 ' A' ' 52' ' ' ILE . 34.7 tt0 -51.82 -36.83 49.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.515 0.198 . . . . 0.0 111.358 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.63 -48.18 82.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.185 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.5 tpp -58.31 -36.55 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.444 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.634 HG12 ' HB2' ' A' ' 102' ' ' ALA . 55.8 mt -60.71 -40.16 83.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.006 0.432 . . . . 0.0 109.838 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.17 -24.77 54.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.154 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -46.43 12.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 -177.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.14 -31.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.036 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 16.1 t0 -61.96 127.28 30.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.68 -30.37 12.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.445 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -106.95 -15.83 14.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.022 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.31 71.46 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.63 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.63 -3.04 45.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.358 0.579 . . . . 0.0 111.247 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.51 3.22 58.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.638 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.6 t -160.8 177.44 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.975 0.417 . . . . 0.0 110.312 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.608 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.37 138.85 19.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 167.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.617 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 8.0 t0 -110.89 176.04 5.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 76.8 m-85 -53.24 -51.8 71.98 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 118.602 0.637 . . . . 0.0 111.512 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.0 Cg_endo -56.72 -47.85 21.52 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.139 1.893 . . . . 0.0 112.38 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.2 mt-10 -61.5 -49.3 77.29 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.337 -178.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 57.0 t80 -59.03 -51.13 71.4 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.921 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -62.78 -43.63 98.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -68.76 -43.24 76.21 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.679 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -70.33 -28.86 65.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.968 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpt -74.47 -68.92 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -14.54 0.58 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 123.562 0.539 . . . . 0.0 110.317 175.017 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 32.1 tt0 . . . . . 0 C--O 1.223 -0.324 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.72 93.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.109 0.413 . . . . 0.0 111.13 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -69.45 -38.78 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.626 0.727 . . . . 0.0 109.308 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 HG21 HD22 ' A' ' 69' ' ' LEU . 47.3 mm -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.25 176.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.2 mtp180 -63.9 -36.17 83.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.75 -41.82 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.232 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HA ' HG11 ' A' ' 91' ' ' VAL . . . -68.91 -42.62 76.6 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.176 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.1 m-85 -54.08 -32.99 56.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.724 0.297 . . . . 0.0 111.607 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.53 -36.67 52.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.439 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 88' ' ' ALA . 1.1 p -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.662 ' HA ' HG13 ' A' ' 108' ' ' VAL . 27.0 m-85 -85.35 13.25 6.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.244 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 1.021 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.8 t70 -134.11 151.08 51.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -73.13 -41.94 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.54 0.685 . . . . 0.0 110.242 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -3.25 44.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.94 -173.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.96 7.48 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.184 -0.462 . . . . 0.0 113.547 -171.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.419 HD22 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -76.76 23.01 0.17 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.23 21.29 79.84 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.02 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' HB2' HD22 ' A' ' 97' ' ' ASN . 68.8 m-85 -147.92 147.78 30.09 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 70.7 mt -111.96 103.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.212 0.529 . . . . 0.0 110.375 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.644 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 3.7 m -95.18 164.17 12.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.17 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.634 ' HB2' HG12 ' A' ' 52' ' ' ILE . . . -58.32 -54.42 47.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.47 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -53.46 -25.86 17.98 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 1.021 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -74.24 -35.34 63.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.819 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 102' ' ' ALA . 2.0 mm? -55.84 -42.61 76.01 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.54 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 5.8 ptt180 -72.73 -36.82 67.84 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.856 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -53.91 -49.71 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.618 173.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.662 HG13 ' HA ' ' A' ' 92' ' ' PHE . 6.0 p -85.71 -50.56 14.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.422 ' N ' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -68.01 -72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.828 -163.162 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -40.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' A' ' 106' ' ' ARG . 42.1 mt . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.81 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.32 -53.39 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.589 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.33 -39.83 89.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.251 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.714 HG13 ' HB1' ' A' ' 102' ' ' ALA . 54.7 mt -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.1 0.476 . . . . 0.0 110.125 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.09 -24.65 59.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.438 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -81.5 -38.77 25.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.2 t -77.14 -30.3 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -55.69 107.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.83 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -97.66 -46.45 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.949 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -120.38 -3.18 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.295 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.95 78.88 1.21 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.206 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 62' ' ' THR . 7.0 m120 -127.93 -24.68 3.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.317 -0.942 . . . . 0.0 110.552 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 4.77 58.24 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 94.7 m -158.08 169.58 24.21 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.034 -1.583 . . . . 0.0 107.814 -169.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.622 HG23 ' HB ' ' A' ' 100' ' ' ILE . 1.8 tt -90.5 144.69 8.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 171.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.6 t0 -111.41 171.05 7.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.836 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 86.0 m-85 -54.01 -53.06 62.49 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 118.642 0.655 . . . . 0.0 112.04 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.7 Cg_endo -57.97 -42.82 54.34 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.047 1.832 . . . . 0.0 112.228 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.83 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 6.1 mt-10 -70.89 -41.3 71.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.575 ' HD1' HG22 ' A' ' 63' ' ' ILE . 60.4 t80 -58.91 -47.51 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.207 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.5 mt -68.37 -37.1 80.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.878 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -74.51 -43.35 56.31 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.35 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 mmt -59.19 -34.66 72.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.0 ttm -69.67 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.927 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.56 -15.42 1.75 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 . . . . . 0 C--O 1.233 0.197 0 O-C-N 123.844 0.715 . . . . 0.0 110.501 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 30.9 tt0 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.638 0.256 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.38 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.05 -34.71 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.641 175.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.6 mm -63.22 -38.31 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.614 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.836 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 80.9 mtt180 -65.31 -40.65 94.05 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.8 0.81 . . . . 0.0 110.027 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' O ' HG21 ' A' ' 91' ' ' VAL . 39.1 tt0 -68.21 -31.59 71.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.584 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.58 82.76 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.108 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.1 m-85 -56.97 -35.01 68.65 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -74.6 -30.84 61.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 108' ' ' VAL . 68.8 t -82.67 -44.69 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.539 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -75.3 18.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.9 0.48 . . . . 0.0 112.175 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.954 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 38.4 t0 -123.65 142.49 51.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.781 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 96.1 mttt -65.32 -44.3 88.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.865 0.841 . . . . 0.0 109.83 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.74 -0.1 25.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.585 -173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.621 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.91 44.61 31.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 115.209 0.844 . . . . 0.0 115.209 -175.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.406 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -76.41 15.48 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.714 1.257 . . . . 0.0 112.397 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 22.81 57.27 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.04 174.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.5 m-85 -154.24 154.32 33.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -176.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.622 ' HB ' HG23 ' A' ' 63' ' ' ILE . 65.1 mt -116.78 102.1 13.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 0.0 111.2 -176.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.719 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 2.0 m -92.46 159.38 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 175.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.714 ' HB1' HG13 ' A' ' 52' ' ' ILE . . . -53.03 -50.93 63.27 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.106 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' HD11 ' A' ' 48' ' ' LEU . . . -50.85 -50.45 56.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.854 175.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.954 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.0 mm-40 -58.85 -47.94 83.11 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.917 0.865 . . . . 0.0 109.372 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.22 -42.9 92.11 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.054 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.845 ' HG3' ' HB3' ' A' ' 111' ' ' ASN . 2.9 ptt180 -67.51 -41.87 83.73 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.21 -175.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.534 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 33.5 t-80 -50.66 -46.12 58.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.337 0.589 . . . . 0.0 111.6 173.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.523 HG23 ' HD1' ' A' ' 107' ' ' HIS . 2.4 t -88.11 -43.52 15.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.473 0.654 . . . . 0.0 111.869 -174.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -71.3 0.25 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.201 -170.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 t -124.35 -40.14 2.27 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.845 ' HB3' ' HG3' ' A' ' 106' ' ' ARG . 9.4 t-20 . . . . . 0 CA--C 1.537 0.471 0 O-C-N 122.538 -0.101 . . . . 0.0 110.864 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.845 0.355 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.71 115.49 16.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 52' ' ' ILE . 83.3 mt -71.56 0.78 7.73 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 111.223 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.84 -34.86 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.09 -35.03 76.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.244 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG21 ' A' ' 55' ' ' VAL . 46.6 tpp -68.48 -35.73 77.94 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.485 ' CG1' ' HB2' ' A' ' 102' ' ' ALA . 70.3 mt -60.51 -37.8 76.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -75.07 -26.05 59.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.588 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.57 -25.67 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 51' ' ' MET . 93.9 t -86.37 -31.91 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.196 0.522 . . . . 0.0 110.201 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.579 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 29.0 t70 -55.61 114.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.221 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.52 -38.3 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.561 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -116.03 -11.39 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.87 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 102.14 8.91 43.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.375 -0.917 . . . . 0.0 114.999 176.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -80.16 -5.8 56.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.339 1.07 . . . . 0.0 110.923 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.87 -0.42 82.6 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.813 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -143.56 155.14 44.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.5 140.63 16.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.608 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 9.3 t0 -111.12 175.36 5.45 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 177.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 85.1 m-85 -55.29 -51.37 80.4 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 118.61 0.641 . . . . 0.0 111.657 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 48.6 Cg_exo -57.79 -44.04 44.26 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.11 1.873 . . . . 0.0 112.188 176.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.608 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.6 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.338 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 66.8 t80 -56.59 -45.97 81.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.25 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -66.43 -38.76 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.899 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -74.72 -45.98 40.54 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.161 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 0.1 OUTLIER -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.91 0.385 . . . . 0.0 110.926 175.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.76 -69.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.911 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.608 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -55.2 -13.8 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -39.29 -50.43 2.0 Allowed 'General case' 0 C--N 1.334 -0.107 0 O-C-N 123.811 0.694 . . . . 0.0 110.868 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 75' ' ' LYS . 20.1 ptmt -129.62 -35.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.344 172.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.1 ptm -111.16 115.15 28.91 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.608 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 18.3 tptp -107.73 117.97 35.5 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.145 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -110.11 -123.91 0.27 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.11 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.7 m -80.45 135.1 36.08 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.697 0.399 . . . . 0.0 111.329 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 9.2 p-10 -127.73 75.6 1.61 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 122.235 1.016 . . . . 0.0 110.764 169.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.568 ' O ' HG12 ' A' ' 85' ' ' ILE . 42.7 t -121.6 122.75 40.34 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.06 -33.55 70.92 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.381 -170.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 27.5 mt-10 -55.88 -54.19 47.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.999 173.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.63 -40.97 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.591 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 39.3 mm -64.98 -39.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.729 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 21.3 ttm180 -67.22 -39.67 86.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.1 mm-40 -59.01 -40.82 86.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.736 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.433 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -60.36 -43.55 96.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.856 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.593 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 15.6 m-85 -55.86 -44.93 78.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -76.17 -24.3 54.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.279 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.423 HG11 HG23 ' A' ' 108' ' ' VAL . 30.6 t -78.03 -49.99 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.644 ' HA ' HG11 ' A' ' 108' ' ' VAL . 12.0 m-85 -62.77 -48.66 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.688 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.855 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.2 t70 -64.26 149.2 48.52 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.522 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.514 ' HE2' ' CA ' ' A' ' 113' ' ' GLY . 99.3 mttt -71.31 -40.07 71.04 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.195 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.17 1.73 42.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.492 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.09 32.99 13.24 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.899 -0.591 . . . . 0.0 113.942 -171.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.06 19.94 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 117.988 0.894 . . . . 0.0 113.194 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.4 22.6 64.6 Favored Glycine 0 C--O 1.228 -0.236 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.229 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 93' ' ' ASP . 55.0 m-85 -148.5 153.36 38.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.64 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.0 mt -118.17 107.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.929 0.395 . . . . 0.0 110.471 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.691 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 21.9 t -104.24 173.69 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.213 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 105' ' ' LEU . . . -63.88 -53.35 51.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.663 0.268 . . . . 0.0 111.344 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.41 -39.68 57.75 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.967 0.413 . . . . 0.0 111.669 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.855 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.0 mm-40 -66.94 -39.23 87.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.001 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 109' ' ' MET . 21.0 mt -52.82 -44.78 66.93 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.776 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 49.8 mtt180 -71.19 -36.71 72.03 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.463 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.974 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 22.3 t60 -49.29 -52.83 25.16 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.357 0.599 . . . . 0.0 111.555 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.7 p -86.89 -38.73 12.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.22 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.675 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.0 ttt -71.31 -71.69 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.402 -169.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -128.13 -34.07 2.14 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 5.5 t30 -98.98 -174.75 2.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -170.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.51 ' H ' ' ND2' ' A' ' 111' ' ' ASN . 26.7 tp -101.17 129.01 47.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.974 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.441 -0.973 0 CA-C-O 117.608 -1.662 . . . . 0.0 111.674 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.85 0.357 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.51 136.09 35.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.095 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 103' ' ' ALA . 3.1 mm? -61.8 -40.8 96.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.897 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 110.291 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.5 -48.75 79.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.626 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.508 ' HB3' ' HB3' ' A' ' 102' ' ' ALA . 12.6 tpt -67.79 -31.96 72.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.668 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.544 HG13 ' HB2' ' A' ' 102' ' ' ALA . 70.6 mt -62.68 -46.07 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -62.52 -31.02 71.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.994 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -81.48 -31.39 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.84 -31.16 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.48 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 28.2 t0 -60.36 87.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.624 0.726 . . . . 0.0 112.247 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.41 -40.53 50.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.782 -1.099 . . . . 0.0 113.057 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 39.1 m-20 -89.66 -18.55 26.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.206 -177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 93.37 3.4 65.01 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.369 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.567 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 5.6 p-10 -77.21 -0.21 24.28 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.85 84.42 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.039 -0.601 . . . . 0.0 113.363 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.419 HG22 HD21 ' A' ' 60' ' ' ASN . 5.5 t -159.65 163.79 34.61 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.671 HG12 ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -82.01 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.664 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 0.8 OUTLIER -111.53 175.58 5.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.629 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 81.7 m-85 -53.54 -51.29 77.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 52.5 Cg_exo -58.25 -41.58 65.19 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.735 1.623 . . . . 0.0 112.38 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.671 ' HB3' HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.92 -54.21 45.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HA ' HD12 ' A' ' 63' ' ' ILE . 51.7 t80 -57.62 -45.05 85.86 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.91 -176.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.561 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -76.06 -42.08 48.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.872 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -31.4 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.309 175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 ttt -69.93 -67.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.587 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -52.82 -15.31 0.71 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -45.21 -50.88 11.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 175.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.64 -48.78 2.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.227 174.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' MET . 24.7 mmt -107.04 111.25 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.286 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 13.5 tptp -112.64 115.52 28.71 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.462 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.79 -74.03 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -120.08 128.87 53.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.129 -178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -126.75 77.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.239 1.019 . . . . 0.0 110.436 170.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' HG12 ' A' ' 85' ' ' ILE . 31.7 t -114.56 119.4 36.67 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 170.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.12 -36.34 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.278 -170.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 6.6 pt-20 -64.29 -46.68 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 15.6 tp10 -68.88 -39.12 79.96 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.9 mm -67.32 -39.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.629 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 7.4 tmm_? -63.98 -41.42 97.53 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.249 0.547 . . . . 0.0 109.783 176.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -67.32 -33.4 75.19 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.582 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' HD2' ' A' ' 92' ' ' PHE . . . -65.63 -40.46 92.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 175.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HA ' HD12 ' A' ' 100' ' ' ILE . 8.5 m-85 -55.28 -41.15 71.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 68.6 mtp180 -73.06 -29.95 63.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.337 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 87' ' ' GLU . 68.9 t -78.83 -49.52 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.491 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' HA ' HG13 ' A' ' 108' ' ' VAL . 55.8 m-85 -63.04 -44.31 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 0.0 110.784 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.854 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.6 t0 -65.24 142.49 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.545 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -87.74 -31.28 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.389 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.63 -4.97 23.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.615 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 53.56 38.36 58.18 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.004 -0.998 . . . . 0.0 115.126 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.488 HD22 ' HB2' ' A' ' 99' ' ' TYR . 3.3 p-10 -73.53 -1.91 20.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.937 1.369 . . . . 0.0 112.033 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.22 22.28 27.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.614 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.488 ' HB2' HD22 ' A' ' 97' ' ' ASN . 62.6 m-85 -151.07 143.62 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.652 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 69.3 mt -108.25 103.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.542 0.687 . . . . 0.0 111.122 -171.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.667 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 15.1 m -103.17 176.36 5.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.496 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -60.59 -54.43 45.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 48' ' ' LEU . . . -49.91 -42.29 47.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.854 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -62.09 -46.46 88.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 109' ' ' MET . 43.7 mt -61.36 -51.38 69.04 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.071 -176.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.687 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 9.7 mtp85 -69.26 -22.37 63.84 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.935 -176.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.568 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 48.0 t-80 -73.93 -38.93 64.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.52 0.676 . . . . 0.0 109.822 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -87.71 -32.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.466 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.8 tmm? -81.02 -74.89 0.3 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.692 -166.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.43 HG21 ' SD ' ' A' ' 109' ' ' MET . 9.8 p -132.0 -28.57 1.74 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.355 0.98 . . . . 0.0 112.715 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.687 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 14.0 m120 -85.1 -165.98 1.37 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.955 -171.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 95.2 mt -41.54 114.26 0.5 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.021 0.826 . . . . 0.0 112.336 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.367 -1.241 . . . . 0.0 111.497 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.664 'CA ' ' OD2' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.602 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.54 112.38 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.454 0.645 . . . . 0.0 110.775 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 52' ' ' ILE . 2.3 mm? -77.77 -27.29 50.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.053 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.98 -36.18 83.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.401 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.63 -40.31 88.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.573 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.697 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 1.1 tpt -66.27 -33.62 76.15 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 48' ' ' LEU . 79.2 mt -65.27 -44.2 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.633 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -34.64 68.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.212 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.02 -34.58 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.594 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 63' ' ' ILE . 1.2 p -94.19 -30.56 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 0.0 111.785 -171.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.09 89.36 0.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.401 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -80.29 -42.81 22.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.646 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.14 -19.04 44.37 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.817 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.01 10.33 75.46 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.084 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 HD22 ' CG ' ' A' ' 64' ' ' ASP . 32.6 p-10 -85.57 -2.66 58.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.857 0.36 . . . . 0.0 111.395 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 12.92 69.58 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.821 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 t -157.83 151.74 24.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.591 HG21 ' HB ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.33 139.78 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 3.0 m-20 -114.31 -179.02 3.51 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 70.6 m-85 -54.89 -50.08 88.2 Favored Pre-proline 0 C--N 1.317 -0.829 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.08 173.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.52 -54.17 5.35 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.075 1.85 . . . . 0.0 112.981 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.609 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 36.4 mt-10 -61.91 -50.5 71.93 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HD1' HG23 ' A' ' 63' ' ' ILE . 36.7 t80 -59.91 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 -173.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD22 HG23 ' A' ' 85' ' ' ILE . 4.2 mm? -69.47 -47.09 65.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.3 m -69.92 -44.51 69.48 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.485 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -67.66 -22.82 65.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.489 175.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 76' ' ' MET . 50.2 ttm -68.21 -68.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 170.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.18 -15.78 1.71 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.726 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 61.8 ttt180 -42.3 -51.47 4.8 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.682 0.614 . . . . 0.0 110.402 174.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 75' ' ' LYS . 42.6 mtpt -131.35 -47.85 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.563 173.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 72' ' ' MET . 19.0 ttt -107.62 117.47 34.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.783 -169.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.693 ' HE2' ' OG1' ' A' ' 79' ' ' THR . 16.8 tptm -106.15 117.31 33.7 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.907 176.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -155.91 76.15 0.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.693 ' OG1' ' HE2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -107.47 172.74 6.66 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.246 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -121.91 -176.17 3.27 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.513 158.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.2 m -53.01 148.91 7.17 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 123.574 0.546 . . . . 0.0 111.559 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -48.9 -44.1 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.319 0.581 . . . . 0.0 110.864 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.28 -38.98 88.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.71 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.47 -36.25 78.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.188 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 79' ' ' THR . 47.7 mm -64.95 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.515 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 97.9 mtt180 -65.59 -35.87 82.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.108 0.48 . . . . 0.0 110.346 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.488 ' O ' HG21 ' A' ' 91' ' ' VAL . 57.6 mm-40 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.84 70.65 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.105 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HA ' HD13 ' A' ' 100' ' ' ILE . 11.8 m-85 -55.78 -35.09 65.89 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.432 0.634 . . . . 0.0 110.419 173.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -69.97 -36.06 74.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.394 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 87' ' ' GLU . 57.3 t -88.47 -26.56 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' C ' HG13 ' A' ' 108' ' ' VAL . 37.6 m-85 -86.15 15.75 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.341 0.591 . . . . 0.0 110.812 178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.837 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 49.1 t0 -130.21 145.73 51.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 78.3 mttt -70.67 -35.84 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.734 0.778 . . . . 0.0 109.337 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.48 1.94 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 112.383 -172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.41 48.85 6.99 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.631 -0.713 . . . . 0.0 114.837 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.411 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.7 p-10 -76.36 3.62 10.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.573 1.186 . . . . 0.0 111.759 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.57 21.46 31.6 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.275 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB2' HD22 ' A' ' 97' ' ' ASN . 64.7 m-85 -149.8 145.14 26.44 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.591 ' HB ' HG21 ' A' ' 63' ' ' ILE . 74.7 mt -110.09 102.47 14.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.229 0.538 . . . . 0.0 109.923 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.9 t -101.24 166.01 10.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.42 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.749 0.309 . . . . 0.0 110.736 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.89 -48.7 42.11 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.841 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.837 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.9 mm-40 -60.13 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.86 -48.21 82.16 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.317 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -70.11 -57.38 5.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 5.3 t-80 -57.05 -35.83 69.8 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.41 0.444 . . . . 0.0 111.642 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.426 HG13 ' C ' ' A' ' 92' ' ' PHE . 2.2 p -84.43 -43.19 17.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.38 -174.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.11 -71.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -130.59 -43.05 1.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.57 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 13.1 m120 -115.51 -169.46 1.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 111.175 -167.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.45 133.81 36.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 169.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.443 -0.853 0 CA-C-O 117.785 -1.564 . . . . 0.0 110.614 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.635 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.697 0.284 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -77.07 133.56 39.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.446 . . . . 0.0 110.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.603 ' O ' HG13 ' A' ' 52' ' ' ILE . 41.0 mt -63.33 -39.14 93.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.641 -173.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.51 -39.7 81.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 109.906 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.83 -43.89 97.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.75 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.2 tpt -61.64 -32.72 72.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.414 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 48' ' ' LEU . 77.6 mt -65.93 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.464 0.65 . . . . 0.0 109.452 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.01 -22.77 58.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.674 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.96 -30.11 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.089 0.471 . . . . 0.0 110.677 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -79.4 -32.92 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.05 119.49 8.44 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 122.174 0.988 . . . . 0.0 111.214 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.96 -40.46 7.64 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.108 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -100.2 -19.96 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.862 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.99 76.17 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.826 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -145.54 -14.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.679 -0.76 . . . . 0.0 111.498 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 0.3 54.37 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.843 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -161.01 -177.1 5.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.788 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.62 142.9 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 165.38 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.617 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 27.4 t0 -111.82 177.16 4.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.634 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 65.4 m-85 -55.08 -55.93 33.69 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 118.521 0.6 . . . . 0.0 111.842 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.634 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.0 Cg_exo -56.04 -39.93 88.12 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.064 1.843 . . . . 0.0 112.695 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 44.0 mt-10 -63.17 -52.48 62.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.296 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 63' ' ' ILE . 67.9 t80 -59.99 -50.01 75.41 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.07 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 85' ' ' ILE . 3.9 mm? -57.56 -41.32 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 27.3 m -73.73 -41.69 62.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.678 -176.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.438 ' HA ' ' HE3' ' A' ' 71' ' ' MET . 32.7 mmt -75.59 -25.88 57.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttt -71.8 -68.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -53.85 -14.07 0.88 Allowed 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 70' ' ' THR . 29.1 tpt180 -52.27 -39.91 61.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 109.994 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -126.12 -53.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.46 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.1 ptm -109.54 115.33 29.72 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.268 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.576 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 19.0 tptm -113.29 126.06 54.98 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.052 -0.405 . . . . 0.0 110.914 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.82 -62.33 0.77 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.624 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.9 m -119.9 127.82 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.19 -0.319 . . . . 0.0 111.81 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -129.37 75.37 1.65 Allowed 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 121.696 0.76 . . . . 0.0 111.258 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.536 ' O ' HG12 ' A' ' 85' ' ' ILE . 36.5 m -124.01 119.56 29.89 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 167.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -52.64 -39.58 61.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.942 -166.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.53 -43.57 96.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.221 0.534 . . . . 0.0 110.828 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.3 -28.08 61.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 81' ' ' SER . 45.1 mm -71.48 -35.4 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -61.13 -36.8 80.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.288 0.566 . . . . 0.0 109.864 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 3.3 tp10 -71.49 -27.69 63.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.093 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' HA ' HG13 ' A' ' 91' ' ' VAL . . . -72.34 -44.29 62.84 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.841 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 18.0 m-85 -56.09 -32.32 64.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.089 0.471 . . . . 0.0 110.611 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.532 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 58.4 ttt180 -76.63 -36.15 57.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.827 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.434 HG13 ' HA ' ' A' ' 88' ' ' ALA . 2.5 p -86.74 -25.46 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.984 -176.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' C ' HG12 ' A' ' 108' ' ' VAL . 36.0 m-85 -91.29 15.57 11.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.002 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.727 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 48.5 t0 -130.69 143.78 50.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.104 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 107' ' ' HIS . 2.6 mtpm? -69.03 -37.4 78.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.483 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.21 2.05 13.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.995 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.39 50.03 6.76 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.96 21.47 0.32 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.775 1.288 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.75 21.48 78.54 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.191 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.7 m-85 -152.52 147.11 25.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' PHE . 79.8 mt -109.97 103.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.217 0.532 . . . . 0.0 110.666 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.732 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 8.0 m -101.21 163.17 12.41 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -57.68 -53.71 55.11 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -50.64 -41.89 55.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.706 175.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.732 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 2.1 mm-40 -63.19 -46.12 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 109' ' ' MET . 9.7 mt -55.52 -48.3 74.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.824 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -78.97 -53.85 6.62 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.522 -173.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.454 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -53.38 -38.17 63.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.864 -176.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 104' ' ' GLU . 7.6 p -85.36 -45.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.895 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -74.52 -60.51 2.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.532 -170.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 m -124.65 -37.39 2.49 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.851 -0.531 . . . . 0.0 112.17 -173.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.09 -174.5 3.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.08 134.43 56.43 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.832 -0.982 . . . . 0.0 112.212 178.819 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.595 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.184 0.516 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.39 143.34 28.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.323 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD21 ' HD2' ' A' ' 106' ' ' ARG . 75.8 mt -70.14 -21.07 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.218 -175.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.32 -41.12 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.316 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -64.14 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 110.339 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.665 ' HB3' ' HB3' ' A' ' 102' ' ' ALA . 15.3 tpt -67.08 -31.64 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.697 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 48' ' ' LEU . 74.0 mt -63.34 -46.77 94.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.38 -24.77 66.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.789 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.6 -35.94 57.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 0.0 110.543 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG21 HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -97.47 -31.05 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.289 -170.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -70.99 81.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.977 0.894 . . . . 0.0 112.014 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -76.16 -39.33 55.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.205 -1.361 . . . . 0.0 112.44 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 1.4 p-10 -90.18 -19.52 24.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.121 -175.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 7.04 52.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.664 -0.779 . . . . 0.0 114.588 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 HD22 ' CG ' ' A' ' 64' ' ' ASP . 20.0 p30 -80.8 -8.89 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.249 1.025 . . . . 0.0 111.587 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.51 15.71 45.79 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 t -159.23 160.31 35.2 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 100' ' ' ILE . 1.1 tt -80.55 144.05 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.8 m-20 -115.28 177.96 4.46 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.2 m-85 -58.93 -51.67 80.24 Favored Pre-proline 0 C--N 1.32 -0.682 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.41 172.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 84.5 Cg_exo -50.22 -52.15 9.52 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.103 1.869 . . . . 0.0 112.671 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 58.9 mt-10 -64.01 -54.65 30.94 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.507 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.98 -49.01 79.2 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.374 0.131 . . . . 0.0 111.095 -173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 69' ' ' LEU . 3.6 mm? -59.19 -42.82 91.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.4 m -75.23 -43.41 51.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.142 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.767 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 96.3 mmm -66.69 -27.96 68.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.346 0.259 . . . . 0.0 111.019 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 76' ' ' MET . 19.4 ttt -68.5 -66.65 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 170.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.68 -14.91 0.14 Allowed 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.767 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 22.5 mmt180 -46.49 -48.83 19.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.323 0.583 . . . . 0.0 109.692 175.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -131.65 -35.86 1.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.758 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.475 ' O ' ' HG2' ' A' ' 72' ' ' MET . 25.1 mmt -102.85 114.68 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.475 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 mmpt? -113.41 116.83 30.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 166.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.45 -87.81 0.63 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.734 0.302 . . . . 0.0 110.764 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.0 m -101.5 114.02 27.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.71 72.72 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.822 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -138.63 131.91 30.13 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 163.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.33 -33.68 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.531 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 7.1 mp0 -59.45 -49.52 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.56 . . . . 0.0 110.284 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.556 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.0 mm -67.76 -35.6 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.817 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 86' ' ' ARG . 32.5 ttp180 -70.87 -37.6 73.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.775 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 91' ' ' VAL . 28.2 mt-10 -68.23 -29.4 68.21 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -65.48 -41.38 93.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' HA ' HD11 ' A' ' 100' ' ' ILE . 10.5 m-85 -53.83 -46.69 71.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.483 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.85 -26.12 60.41 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.138 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 87' ' ' GLU . 54.1 t -80.12 -48.67 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.674 ' HA ' HG11 ' A' ' 108' ' ' VAL . 26.2 m-85 -60.45 -40.73 92.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.898 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.9 t70 -63.43 139.48 58.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.07 0.462 . . . . 0.0 111.306 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -78.58 -34.58 46.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.676 -176.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.607 ' OD1' 'CA ' ' A' ' 300' ' ' ' CA' . 0.0 OUTLIER -93.99 3.7 54.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.577 179.065 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.66 29.57 25.62 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-O 119.616 -0.547 . . . . 0.0 114.002 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.9 0.64 23.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.249 1.025 . . . . 0.0 112.91 -174.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.95 -22.18 42.11 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 114.392 170.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.07 159.56 15.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 117.13 0.465 . . . . 0.0 110.588 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.66 ' HB ' HG21 ' A' ' 63' ' ' ILE . 50.0 mt -112.29 102.26 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 110.543 -177.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.785 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 14.7 m -94.85 -179.9 5.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 174.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.665 ' HB3' ' HB3' ' A' ' 51' ' ' MET . . . -65.73 -56.56 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -51.48 -31.77 24.76 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.141 0.496 . . . . 0.0 111.844 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.898 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.2 mm-40 -62.78 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.596 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.1 mm? -52.12 -48.31 64.87 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.074 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 48' ' ' LEU . 36.6 mtt180 -69.57 -43.08 73.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.431 -173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.979 ' HB2' ' HA2' ' A' ' 113' ' ' GLY . 19.2 t60 -49.32 -48.52 46.33 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.373 0.606 . . . . 0.0 111.37 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.674 HG11 ' HA ' ' A' ' 92' ' ' PHE . 10.0 p -85.59 -35.49 9.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 -172.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.596 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.11 -73.87 0.29 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.675 -170.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 t -132.05 -14.57 3.05 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 10.9 m120 -116.78 -175.2 2.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 -174.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -106.58 104.78 14.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.679 0.752 . . . . 0.0 109.834 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.979 ' HA2' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.442 -0.92 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.037 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.605 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.607 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.92 87.01 4.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 0.0 111.135 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 106' ' ' ARG . 81.9 mt -73.81 -33.2 64.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.659 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.97 -33.82 73.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.443 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -56.15 -53.15 60.57 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.653 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.4 -30.8 70.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.243 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 48' ' ' LEU . 80.1 mt -64.18 -48.87 83.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -28.74 67.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.922 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -81.57 -46.47 14.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.585 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.0 t -83.25 -31.17 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 25.7 t0 -69.77 79.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.307 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.94 67.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.34 -1.3 . . . . 0.0 113.278 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -100.82 -17.7 16.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.682 0.277 . . . . 0.0 111.653 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 96.69 4.59 59.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.352 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -79.75 -5.26 54.93 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.316 0.558 . . . . 0.0 111.338 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.32 9.82 64.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.269 173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 169.42 23.4 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.228 0.537 . . . . 0.0 110.156 -172.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.1 139.77 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 169.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.609 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 51.8 t0 -111.96 177.75 4.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.512 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 75.7 m-85 -54.25 -50.87 82.28 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 118.161 0.437 . . . . 0.0 112.142 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 42.8 Cg_exo -57.9 -43.58 47.76 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.795 1.663 . . . . 0.0 112.249 175.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.609 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.8 mt-10 -62.25 -52.78 62.37 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' HA ' HD13 ' A' ' 63' ' ' ILE . 22.3 t80 -58.24 -49.51 76.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.427 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 69' ' ' LEU . 7.9 mt -66.11 -39.1 89.67 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.651 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -71.38 -48.7 48.3 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.87 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' HB3' ' A' ' 74' ' ' ARG . 22.9 mmt -66.56 -32.89 74.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.447 0.299 . . . . 0.0 111.7 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 56.9 ttm -63.38 -68.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 -15.5 9.35 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 71' ' ' MET . 77.4 ttt180 -51.83 -49.96 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 110.701 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.32 -43.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.265 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtt -78.66 -176.71 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -59.18 156.51 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.977 176.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -97.78 139.33 33.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 170.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -120.24 91.79 3.62 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -82.47 95.39 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.509 ' O ' HG12 ' A' ' 85' ' ' ILE . 55.4 m -164.55 67.51 0.15 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -170.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -49.0 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.066 -166.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.14 -37.14 84.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.0 111.416 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.68 -35.91 81.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 21.1 mm -71.93 -33.99 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -61.82 -40.86 96.73 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 110.111 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -73.0 -26.22 61.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.676 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.486 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -69.5 -44.98 69.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 22.0 m-85 -56.43 -38.98 72.33 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.475 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -72.6 -32.96 66.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.702 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.4 t -80.69 -48.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.544 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.711 ' HA ' HG11 ' A' ' 108' ' ' VAL . 48.3 m-85 -63.6 -42.17 98.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 110.355 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.846 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.8 t0 -65.32 142.83 58.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.03 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.606 ' HB3' ' CG ' ' A' ' 107' ' ' HIS . 14.9 pttp -88.49 -25.98 22.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.77 -2.14 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.07 37.44 54.14 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.454 -0.794 . . . . 0.0 114.998 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.63 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -74.23 2.73 8.48 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.822 1.311 . . . . 0.0 111.634 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.43 22.76 33.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.533 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.63 ' HB2' HD22 ' A' ' 97' ' ' ASN . 52.5 m-85 -149.26 148.12 29.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.56 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 79.4 mt -113.45 105.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.23 0.538 . . . . 0.0 110.878 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.598 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -109.05 178.92 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.669 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' ' 51' ' ' MET . . . -62.41 -54.32 41.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.736 0.303 . . . . 0.0 111.626 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -48.86 -45.52 41.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.707 175.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.846 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.4 mm-40 -61.1 -48.06 83.42 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 109' ' ' MET . 12.4 mt -54.38 -49.91 68.76 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.16 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.9 mtt180 -65.67 -45.74 81.74 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.09 -175.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CG ' ' HB3' ' A' ' 94' ' ' LYS . 17.3 t60 -49.96 -42.27 48.32 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.418 0.449 . . . . 0.0 111.67 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.711 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -85.7 -34.05 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.506 0.67 . . . . 0.0 110.52 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tpt -77.4 -74.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.384 -167.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.6 t -133.16 -10.26 2.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.639 -0.663 . . . . 0.0 112.658 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.457 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 3.3 t-20 -93.77 -173.52 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.482 -172.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.457 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -46.43 122.58 4.17 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.304 0.641 . . . . 0.0 111.319 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.424 ' HA2' ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.441 -1.199 . . . . 0.0 111.907 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.43 136.96 56.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.681 0.753 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.69 HD13 ' HG3' ' A' ' 106' ' ' ARG . 3.0 mm? -76.23 -33.15 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.382 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.16 -32.42 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.178 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.62 -49.95 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 tpt -67.21 -33.81 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.654 HG13 ' HB2' ' A' ' 102' ' ' ALA . 71.8 mt -61.84 -44.37 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.078 0 CA-C-O 121.512 0.673 . . . . 0.0 109.574 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.37 -38.12 84.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.127 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.9 -36.68 72.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.209 0.528 . . . . 0.0 111.001 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.408 HG12 HD11 ' A' ' 63' ' ' ILE . 43.2 t -92.46 -30.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.683 -168.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -57.58 122.13 11.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.74 -28.45 15.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.38 -170.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -112.49 -4.12 14.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.347 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.75 73.31 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.276 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -85.39 4.1 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 -4.91 57.59 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.878 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -160.2 176.0 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.295 0.569 . . . . 0.0 110.696 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.78 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.2 mt -93.79 139.08 18.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.607 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -108.68 174.73 5.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 63.2 m-85 -53.71 -52.52 66.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.018 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 75.8 Cg_exo -52.7 -50.58 13.56 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.093 1.862 . . . . 0.0 112.615 173.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.607 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.06 -51.48 69.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 48.1 t80 -57.89 -49.17 77.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.633 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD21 HG23 ' A' ' 85' ' ' ILE . 4.3 mm? -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.808 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.7 m -69.37 -45.59 68.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.565 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 93.2 mmm -71.16 -18.88 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.442 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.628 ' HG2' ' O ' ' A' ' 76' ' ' MET . 20.9 ttt -73.06 -68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' HA ' ' HG2' ' A' ' 77' ' ' LYS . . . -52.71 -16.98 1.11 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.517 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.565 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 15.8 tpt180 -45.93 -46.78 16.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.529 0.681 . . . . 0.0 109.38 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -130.35 -51.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.952 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.628 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.7 ttt -108.91 113.27 26.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.474 -169.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HG2' ' HA ' ' A' ' 73' ' ' ALA . 4.3 mmtp -113.29 128.78 56.58 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.779 -0.575 . . . . 0.0 111.26 175.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -136.71 -83.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.38 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.66 115.46 23.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.667 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -128.62 72.98 1.47 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.012 0.911 . . . . 0.0 110.61 167.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.591 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 48.8 m -143.41 134.55 25.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 162.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 45.2 mt-10 -54.95 -34.8 63.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.216 -165.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -56.14 -51.92 66.2 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' OE2' ' HB2' ' A' ' 81' ' ' SER . 1.9 mp0 -65.47 -39.33 91.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.884 0.374 . . . . 0.0 110.019 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.499 HG23 HD21 ' A' ' 69' ' ' LEU . 38.2 mm -65.1 -38.36 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.513 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 20.4 mmm180 -60.77 -43.87 97.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 7.6 tp10 -68.63 -31.5 70.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.204 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.2 58.46 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.671 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.508 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.0 m-85 -57.04 -30.54 64.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.159 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.518 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 57.9 ttt180 -77.02 -33.94 57.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.939 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' GLU . 77.4 t -86.72 -37.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.99 0.424 . . . . 0.0 111.572 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HA ' ' CB ' ' A' ' 108' ' ' VAL . 28.5 m-85 -79.25 14.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.464 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.903 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.9 t0 -131.68 150.11 52.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.733 ' HG2' ' HB2' ' A' ' 107' ' ' HIS . 83.1 mttt -71.64 -37.57 70.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.787 0.803 . . . . 0.0 109.627 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.09 -1.06 12.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.145 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.2 46.12 15.71 Favored Glycine 0 CA--C 1.523 0.539 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.942 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.526 HD21 ' HD2' ' A' ' 99' ' ' TYR . 3.6 p-10 -75.69 18.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.816 1.308 . . . . 0.0 112.648 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.27 78.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.914 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HD2' HD21 ' A' ' 97' ' ' ASN . 83.3 m-85 -147.59 137.98 23.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 75.8 mt -109.22 102.42 13.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.314 0.578 . . . . 0.0 110.63 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.457 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 26.5 t -110.43 166.26 11.13 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.654 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -65.37 -14.31 60.55 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 -168.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.13 -37.38 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.903 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.0 mm-40 -61.69 -38.18 86.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.797 174.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.2 mm? -54.24 -44.14 71.5 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.696 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.69 ' HG3' HD13 ' A' ' 48' ' ' LEU . 32.4 mmt180 -59.21 -48.95 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.733 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 51.6 t-80 -49.27 -50.18 40.11 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.652 0.595 . . . . 0.0 112.417 177.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.5 ' CB ' ' HA ' ' A' ' 92' ' ' PHE . 8.7 p -84.41 -35.0 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.266 0.555 . . . . 0.0 111.357 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.605 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 4.7 tmm? -81.09 -72.68 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.102 -167.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 p -129.53 -25.93 2.57 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 62.1 t30 -88.58 -173.56 4.2 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 122.214 -0.304 . . . . 0.0 111.057 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 70.9 mt -46.59 131.11 11.37 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.457 0.703 . . . . 0.0 112.564 -175.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.626 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.251 1.218 0 CA-C-O 118.348 -1.251 . . . . 0.0 111.71 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 120.938 0.399 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -81.55 135.03 35.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? -65.98 -3.42 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -171.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.53 -50.42 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.181 0.446 . . . . 0.0 110.307 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.95 -34.26 77.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.285 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.3 tpp -66.42 -30.93 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.25 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 48' ' ' LEU . 84.3 mt -63.27 -44.95 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -66.8 -25.21 66.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.563 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.61 -41.78 13.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 111.657 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -88.6 -32.26 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -172.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.91 124.57 20.59 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.129 0.49 . . . . 0.0 109.872 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.43 -29.9 13.67 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.435 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -113.34 -13.13 12.93 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.362 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.93 20.09 63.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.997 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -79.08 -2.18 39.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.526 0.663 . . . . 0.0 111.498 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.5 2.44 61.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.138 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -159.13 178.16 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.157 0.503 . . . . 0.0 110.757 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.792 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -93.77 140.21 16.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.286 169.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.613 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.4 t70 -111.96 172.48 6.88 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 51.2 m-85 -54.03 -48.41 94.1 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 118.749 0.704 . . . . 0.0 111.672 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.9 Cg_endo -55.77 -46.28 32.8 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.333 2.022 . . . . 0.0 112.638 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.613 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.3 mt-10 -61.1 -53.66 54.29 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 -176.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 24.7 t80 -58.89 -47.55 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -176.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.6 mt -67.74 -44.75 76.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.217 -177.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -73.85 -43.39 58.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.179 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.13 -30.28 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.755 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.0 ttm -64.53 -68.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.511 ' HB1' ' HD3' ' A' ' 77' ' ' LYS . . . -56.21 -16.83 5.92 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.1 -51.06 8.27 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.818 0.699 . . . . 0.0 111.139 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -129.93 -50.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.5 ttt -109.19 109.98 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.081 -175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HD3' ' HB1' ' A' ' 73' ' ' ALA . 26.9 tptp -108.49 115.52 30.27 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.329 176.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -123.93 -61.62 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.209 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 81' ' ' SER . 1.7 m -95.71 97.95 10.09 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.124 -171.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.52 101.54 13.18 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 164.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.559 ' O ' HG12 ' A' ' 85' ' ' ILE . 74.1 m -163.61 73.2 0.3 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -164.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -52.97 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.081 -172.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.01 -43.11 81.5 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 34.3 mt-10 -64.27 -38.66 91.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.392 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.582 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -62.07 -40.04 85.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -61.74 -47.34 85.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.797 0.808 . . . . 0.0 109.517 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.41 -37.42 83.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.107 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -46.95 86.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.71 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 25.1 m-85 -55.07 -42.47 72.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.632 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.03 -33.42 51.07 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.86 -48.72 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.7 m-85 -60.71 -38.72 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.601 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.763 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 21.2 t0 -61.85 143.7 55.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.17 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 -44.05 53.15 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 122.043 0.925 . . . . 0.0 109.325 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -100.37 -4.68 28.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.852 -171.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.14 34.51 79.93 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.291 -0.868 . . . . 0.0 114.941 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.437 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.1 p-10 -74.5 7.41 2.95 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.974 1.387 . . . . 0.0 112.349 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.53 23.61 42.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.439 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.71 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 55.3 m-85 -150.72 150.91 31.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.792 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.9 mt -111.13 102.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.247 0.546 . . . . 0.0 110.986 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.672 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 20.4 m -98.67 165.95 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.86 75.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.708 0.289 . . . . 0.0 110.976 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.699 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.65 -46.49 63.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.834 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.763 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -60.07 -42.01 93.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.18 -47.77 84.08 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.392 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 24.8 ptt180 -56.16 -48.91 75.4 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.977 ' HB2' ' HA2' ' A' ' 113' ' ' GLY . 8.5 t60 -50.24 -54.18 22.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.699 0.624 . . . . 0.0 112.584 177.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.606 HG21 ' HA ' ' A' ' 92' ' ' PHE . 12.7 p -84.85 -33.42 8.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.145 -169.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 ttp -76.43 -73.2 0.29 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.95 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -132.38 -37.75 1.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -96.07 -173.87 2.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.9 pp -69.16 154.24 42.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.756 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.977 ' HA2' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.876 -0.958 . . . . 0.0 111.174 173.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.127 0.489 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.4 pm0 -83.09 115.14 21.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.301 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 1.032 HD12 ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -64.23 2.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -169.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.53 ' OE1' HD12 ' A' ' 52' ' ' ILE . 12.3 mm100 -57.49 -26.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.944 0.338 . . . . 0.0 110.802 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 7.9 p-10 -60.17 -51.78 68.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.546 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.585 ' HE3' HD23 ' A' ' 105' ' ' LEU . 24.3 ttt -70.38 -27.28 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.53 HD12 ' OE1' ' A' ' 49' ' ' GLN . 10.9 mt -65.23 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.917 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.14 -16.6 59.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 21.9 mm-40 -81.65 -15.54 54.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.297 . . . . 0.0 111.368 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -111.95 -30.63 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 11.8 p-10 -62.77 79.64 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.906 0.86 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.608 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -72.1 -32.95 67.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 9.8 m-20 -87.2 -17.57 32.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 56' ' ' ASP . . . 79.81 10.9 85.21 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.336 -170.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.92 1.18 36.44 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 111.393 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.35 90.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.536 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -148.85 148.33 29.77 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -77.72 143.85 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 2.4 m-20 -113.63 175.55 5.41 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 85.5 m-85 -55.75 -50.46 86.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.796 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.83 -48.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.544 2.163 . . . . 0.0 113.179 174.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.608 ' HG2' ' HB1' ' A' ' 57' ' ' ALA . 61.7 mt-10 -65.0 -50.99 64.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.782 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.512 ' HD1' HG21 ' A' ' 63' ' ' ILE . 45.5 t80 -58.88 -46.26 88.26 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.86 -40.83 96.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.595 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.8 m -69.72 -44.1 71.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.108 0.48 . . . . 0.0 110.832 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.98 -33.55 76.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 ttt -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 121.294 0.568 . . . . 0.0 109.537 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.89 -19.08 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -47.26 -51.7 18.17 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.847 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' ' 75' ' ' LYS . 38.4 mtpt -111.32 -53.95 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.389 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.49 105.81 13.81 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.923 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -115.88 115.91 27.06 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.377 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -150.2 -39.22 0.14 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.863 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -58.92 120.27 8.74 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.275 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.87 107.9 13.71 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 162.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.694 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 57.3 m -163.87 66.02 0.17 Allowed 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -166.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.3 tt0 -53.57 -49.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -37.39 82.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.55 0.214 . . . . 0.0 111.139 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.694 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 28.5 mt-10 -67.3 -37.1 82.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.539 0.209 . . . . 0.0 110.927 176.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 81' ' ' SER . 47.2 mm -65.04 -38.17 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 90.5 mtt180 -66.81 -41.97 86.68 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.278 0.561 . . . . 0.0 109.851 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.22 -42.97 96.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.315 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.67 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.752 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 9.0 m-85 -58.37 -34.33 70.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.452 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -71.91 -38.84 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.993 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.698 ' O ' HG21 ' A' ' 108' ' ' VAL . 71.5 t -75.12 -45.15 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.956 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.754 ' HA ' HG11 ' A' ' 108' ' ' VAL . 54.0 m-85 -77.73 16.69 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.838 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 43.4 t0 -125.17 139.74 53.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 4.9 mtpm? -72.88 -34.38 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.55 12.69 12.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.891 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.513 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 42.35 45.44 5.31 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.448 HD22 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -78.84 5.12 12.15 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.357 1.079 . . . . 0.0 111.462 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.78 22.88 34.82 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.483 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HB2' HD22 ' A' ' 97' ' ' ASN . 62.4 m-85 -150.71 144.23 25.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 109.95 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' A' ' 63' ' ' ILE . 71.2 mt -109.46 103.95 16.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 -173.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.663 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 30.5 t -106.02 -178.84 3.77 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB1' HG13 ' A' ' 52' ' ' ILE . . . -68.3 -54.87 14.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 1.032 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -50.53 -43.67 56.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 110.979 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.838 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -57.23 -52.95 63.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.725 176.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.585 HD23 ' HE3' ' A' ' 51' ' ' MET . 27.0 tp -59.37 -50.44 73.96 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.723 -173.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.486 ' CD ' HD22 ' A' ' 48' ' ' LEU . 74.5 mtt180 -62.24 -57.01 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.649 -175.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.727 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 53.3 t-80 -50.62 -40.65 53.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.826 0.704 . . . . 0.0 111.687 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.754 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -86.72 -38.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.151 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.461 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 40.0 ttp -69.8 -73.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.559 -174.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 m -134.26 -43.46 0.78 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 11.7 m120 -105.62 -172.59 2.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.687 -166.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.96 140.4 39.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.331 0.586 . . . . 0.0 110.081 173.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.727 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.441 -0.974 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.635 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.607 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 9.4 pt-20 -85.14 62.08 7.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.164 0.507 . . . . 0.0 111.699 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.801 HD23 ' HD2' ' A' ' 106' ' ' ARG . 18.5 mt -78.33 -39.34 39.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.806 -0.559 . . . . 0.0 110.756 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -57.06 -37.57 72.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.799 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.608 ' HB2' ' HB2' ' A' ' 47' ' ' GLU . 12.4 m-20 -60.7 -53.58 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.525 176.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.6 tpt -61.72 -38.62 88.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.698 HG13 ' HB1' ' A' ' 102' ' ' ALA . 31.2 mt -57.24 -43.13 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.469 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.6 -22.34 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.417 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -79.39 -33.85 42.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.256 0.55 . . . . 0.0 110.163 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -91.58 -30.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.361 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 33.9 t0 -61.24 120.9 11.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.391 0.615 . . . . 0.0 110.078 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.67 -31.73 12.12 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.542 -171.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -107.95 -14.72 14.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.369 -174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 20.46 59.85 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.198 -1.001 . . . . 0.0 114.067 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -79.97 -1.66 40.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 111.333 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.65 63.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.459 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.0 t -159.86 178.68 9.51 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.138 0.494 . . . . 0.0 110.424 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.46 141.2 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 170.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 t70 -112.16 174.87 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.51 ' O ' HD22 ' A' ' 69' ' ' LEU . 43.1 m-85 -54.68 -50.99 82.55 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 118.678 0.672 . . . . 0.0 111.261 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.2 Cg_exo -54.87 -46.35 33.96 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.981 1.787 . . . . 0.0 112.606 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.58 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 39.8 mt-10 -61.23 -53.39 57.53 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -56.25 -46.02 79.79 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.426 0.454 . . . . 0.0 111.006 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD23 HG23 ' A' ' 85' ' ' ILE . 3.9 mm? -65.03 -42.57 94.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.1 m -72.01 -44.61 63.18 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.887 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmt -64.25 -30.0 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.384 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.71 -66.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 172.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.737 ' HB1' ' HD3' ' A' ' 77' ' ' LYS . . . -52.91 -16.26 0.98 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.89 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -47.71 -49.73 27.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.139 0.495 . . . . 0.0 109.743 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -115.2 -53.81 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.28 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -113.74 114.19 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.632 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.737 ' HD3' ' HB1' ' A' ' 73' ' ' ALA . 24.0 tptp -110.73 114.24 27.46 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.349 -0.94 . . . . 0.0 110.446 171.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -175.85 86.85 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 HD12 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -119.75 170.56 9.1 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.968 0.889 . . . . 0.0 112.514 -172.009 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.622 ' HB3' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-20 -88.05 -168.7 2.3 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.095 165.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 85' ' ' ILE . 76.5 p -65.79 162.21 19.26 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.851 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.86 -32.64 70.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 48.0 mt-10 -57.55 -43.73 84.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.304 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.622 ' HG3' ' HB3' ' A' ' 80' ' ' ASP . 59.4 mm-40 -65.53 -35.34 80.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 109.965 176.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.631 HD12 HG23 ' A' ' 79' ' ' THR . 39.4 mm -68.66 -40.33 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.331 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 18.9 ptp180 -66.85 -35.54 80.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.604 -0.439 . . . . 0.0 109.931 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 83' ' ' GLU . 43.0 mt-10 -67.61 -33.66 75.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.76 85.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 18.3 m-85 -57.34 -37.01 71.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.259 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -76.13 -34.34 59.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.373 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.476 ' O ' HG22 ' A' ' 108' ' ' VAL . 90.9 t -86.32 -38.76 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HA ' HG12 ' A' ' 108' ' ' VAL . 39.5 m-85 -72.28 -30.31 64.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.174 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.893 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.5 t70 -71.9 148.4 46.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.832 170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 98.6 mttt -66.87 -44.98 79.51 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.176 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -110.53 15.29 22.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.449 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.45 39.87 15.32 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.257 -0.883 . . . . 0.0 114.975 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -77.78 21.13 0.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.754 1.277 . . . . 0.0 112.581 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.61 22.6 74.87 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.588 173.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.2 m-85 -147.32 146.29 29.65 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 76.5 mt -110.21 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.709 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 19.3 m -100.84 158.9 15.63 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 52' ' ' ILE . . . -52.68 -53.35 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.266 . . . . 0.0 111.419 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' O ' ' HA3' ' A' ' 113' ' ' GLY . . . -49.54 -46.21 48.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.957 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.893 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -64.34 -47.18 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 109' ' ' MET . 62.7 tp -55.19 -40.02 70.25 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.217 -175.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.801 ' HD2' HD23 ' A' ' 48' ' ' LEU . 75.3 mtt180 -78.58 -57.77 3.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.444 -175.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.632 ' HB2' ' CA ' ' A' ' 113' ' ' GLY . 5.6 t60 -55.37 -35.18 64.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.502 0.501 . . . . 0.0 111.653 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 92' ' ' PHE . 2.5 p -85.36 -44.29 17.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.729 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.426 ' SD ' HG22 ' A' ' 110' ' ' THR . 0.0 OUTLIER -75.57 -75.13 0.19 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.426 HG22 ' SD ' ' A' ' 109' ' ' MET . 1.2 p -134.1 -43.85 0.79 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.514 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 6.4 t-20 -92.53 -172.47 3.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.466 -168.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 133.99 34.61 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.45 0.643 . . . . 0.0 109.614 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.746 ' HA2' HD13 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.437 -1.268 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.947 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.612 'CA ' ' OD1' ' A' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.762 0.315 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -89.48 147.03 24.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 1.049 HD21 ' HA ' ' A' ' 103' ' ' ALA . 16.2 tp -88.62 3.73 49.51 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.515 ' HA ' HD11 ' A' ' 52' ' ' ILE . 9.8 tt0 -52.71 -29.98 29.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.13 -44.92 90.7 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.315 0.578 . . . . 0.0 110.426 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.606 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 0.1 OUTLIER -62.87 -34.36 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.427 176.38 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 49' ' ' GLN . 66.2 mt -64.18 -34.58 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.817 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.32 -22.49 54.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.76 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.93 -34.5 29.84 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.249 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.07 -30.77 18.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.07 0.462 . . . . 0.0 110.344 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.4 109.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.627 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.76 -43.78 7.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.929 -171.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -125.05 -4.98 7.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.718 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.53 77.61 1.17 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.046 -174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.8 -29.16 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.532 -0.834 . . . . 0.0 110.247 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 -2.73 80.62 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -159.18 177.34 11.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.455 -1.373 . . . . 0.0 108.786 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.522 HG21 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -96.03 146.33 7.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 9.0 t70 -110.68 175.96 5.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 84.4 m-85 -55.71 -56.86 25.27 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 112.744 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.475 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 18.9 Cg_endo -60.62 -34.38 92.36 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.755 1.637 . . . . 0.0 112.017 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.9 mt-10 -72.6 -43.34 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.664 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 63' ' ' ILE . 62.0 t80 -60.05 -42.07 93.68 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.208 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -63.33 -33.35 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.322 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -80.68 -41.58 23.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.137 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 -29.38 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 76' ' ' MET . 36.5 ttm -66.16 -68.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 77' ' ' LYS . . . -55.1 -13.83 1.36 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.102 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.8 tpm_? -46.41 -45.94 18.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.552 0.533 . . . . 0.0 109.666 176.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -119.19 -52.34 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.09 170.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.508 ' O ' ' HG2' ' A' ' 72' ' ' MET . 23.2 ptt? -111.51 119.4 38.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.498 -0.126 . . . . 0.0 111.281 -171.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HD2' ' HB1' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -93.73 114.0 26.19 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 119.639 -0.824 . . . . 0.0 109.64 173.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.83 -146.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 m -60.25 135.11 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.723 0.409 . . . . 0.0 111.085 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -128.21 76.99 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.151 0.977 . . . . 0.0 111.232 168.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.451 ' HG ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 p -131.72 127.76 37.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 165.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 86' ' ' ARG . 24.7 tt0 -52.77 -42.3 64.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.017 0.823 . . . . 0.0 111.883 -164.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.661 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 5.5 mp0 -60.2 -43.59 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.551 0.215 . . . . 0.0 111.531 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG2' ' HG ' ' A' ' 81' ' ' SER . 14.2 mm-40 -67.24 -38.99 86.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.256 0.55 . . . . 0.0 109.604 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.433 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 33.9 mm -67.3 -35.84 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.656 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.661 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 29.2 mtp85 -62.4 -42.72 99.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.757 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 36.5 tt0 -69.49 -28.62 66.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 109.906 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 91' ' ' VAL . . . -69.56 -42.68 74.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.809 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.7 m-85 -54.83 -35.26 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 111.42 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 87' ' ' GLU . 59.6 mtp180 -71.57 -37.73 71.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.294 177.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 88' ' ' ALA . 2.4 p -86.49 -21.93 7.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -173.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' C ' HG11 ' A' ' 108' ' ' VAL . 32.0 m-85 -96.98 15.05 23.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.213 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.685 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 13.6 t70 -126.09 132.67 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.728 ' HG2' ' OE1' ' A' ' 104' ' ' GLU . 9.7 ptmm? -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 -172.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -107.41 13.39 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.713 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 48.15 36.82 16.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.157 0.823 . . . . 0.0 115.157 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.41 19.53 1.23 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.335 1.068 . . . . 0.0 113.393 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.23 23.65 62.84 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.903 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.649 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 46.0 m-85 -150.53 162.28 40.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.522 ' HB ' HG21 ' A' ' 63' ' ' ILE . 67.7 mt -122.86 104.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.17 0.509 . . . . 0.0 111.131 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.517 ' HB3' ' CG ' ' A' ' 104' ' ' GLU . 22.9 t -101.42 168.2 9.67 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -54.78 30.6 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.143 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 1.049 ' HA ' HD21 ' A' ' 48' ' ' LEU . . . -52.79 -36.28 57.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.492 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.728 ' OE1' ' HG2' ' A' ' 94' ' ' LYS . 16.4 mm-40 -60.64 -49.92 75.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.365 174.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 109' ' ' MET . 10.4 mt -53.21 -44.57 68.11 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.622 -174.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -78.72 -53.43 7.15 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.165 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 32.6 m80 -66.83 -25.95 66.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 104' ' ' GLU . 8.1 p -85.29 -47.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.469 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tmm? -69.11 -54.03 17.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.492 -172.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -128.11 -41.45 1.6 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.094 -0.379 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.662 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.2 m120 -72.89 -173.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.05 121.96 38.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.77 -1.016 . . . . 0.0 112.139 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.901 0.381 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.26 155.82 48.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.236 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.558 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.2 mm? -75.0 -32.4 61.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -164.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.12 -31.8 70.75 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.461 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -51.03 71.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.4 tpp -64.09 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.1 mt -60.79 -44.43 97.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.529 ' HA ' ' OD1' ' A' ' 56' ' ' ASP . 12.4 m120 -71.79 -23.22 61.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.46 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.26 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.031 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.82 -33.27 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD1' ' HA ' ' A' ' 53' ' ' ASN . 8.4 p-10 -71.87 87.0 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.533 1.158 . . . . 0.0 112.018 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . . . -69.59 -30.47 68.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.47 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 5.6 m-20 -80.01 -17.07 53.77 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.509 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 76.15 16.78 80.44 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.846 -170.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -88.18 0.65 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 111.526 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' H ' ' HB2' ' A' ' 56' ' ' ASP . . . 80.3 13.48 81.78 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.598 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -158.04 147.56 19.77 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.895 0.379 . . . . 0.0 110.089 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.655 HG21 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -77.85 140.84 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 2.0 m-20 -113.33 173.4 6.42 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 71.9 m-85 -52.89 -48.54 91.08 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.278 175.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.3 Cg_exo -54.4 -53.85 5.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.978 1.786 . . . . 0.0 112.831 174.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.595 ' OE1' ' HA ' ' A' ' 63' ' ' ILE . 56.5 mt-10 -60.04 -52.44 65.34 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.452 ' HD1' HG23 ' A' ' 63' ' ' ILE . 47.1 t80 -59.31 -47.23 86.16 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.261 0.351 . . . . 0.0 110.482 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.8 mt -66.48 -45.18 80.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.966 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.5 m -70.42 -46.69 63.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.726 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 mmt -60.95 -28.48 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.89 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' MET . 43.1 ttm -72.97 -69.98 0.38 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.15 -15.68 2.47 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -40.28 -47.72 2.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.707 0.629 . . . . 0.0 110.367 173.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -131.69 -37.32 1.19 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -110.43 112.7 24.8 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -114.27 117.67 31.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.616 -0.677 . . . . 0.0 109.316 167.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.21 -12.16 0.22 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.317 0.58 . . . . 0.0 111.098 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.6 166.57 20.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.036 0.922 . . . . 0.0 113.302 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.19 -152.44 0.09 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.671 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.8 p -67.74 161.63 25.61 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -164.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.97 -32.35 67.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.504 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.48 -38.02 89.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.047 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -32.31 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 41.1 mm -66.98 -35.96 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.235 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -63.17 -45.4 92.0 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.411 0.624 . . . . 0.0 110.009 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.4 mm-40 -69.24 -25.93 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.022 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.51 79.95 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.891 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HA ' HD13 ' A' ' 100' ' ' ILE . 16.9 m-85 -57.7 -35.63 70.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.119 0.485 . . . . 0.0 111.038 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -76.22 -31.66 58.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.033 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 87' ' ' GLU . 81.8 t -83.32 -43.5 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.588 0.232 . . . . 0.0 111.219 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.788 ' HA ' HG13 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.69 16.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.0 111.314 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.879 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 53.3 t0 -132.42 142.87 49.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HD3' ' CG ' ' A' ' 107' ' ' HIS . 15.7 pttp -87.38 -16.08 35.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 0.0 110.068 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -118.33 1.83 11.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.659 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.25 41.7 11.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.754 1.061 . . . . 0.0 115.754 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.491 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -77.35 18.59 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.772 1.286 . . . . 0.0 112.236 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.92 21.51 78.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.91 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' HD22 ' A' ' 97' ' ' ASN . 63.5 m-85 -150.45 141.96 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.655 ' HB ' HG21 ' A' ' 63' ' ' ILE . 83.2 mt -110.58 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -173.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.8 t -108.73 171.7 7.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.483 ' HB1' ' CG1' ' A' ' 52' ' ' ILE . . . -57.83 -54.29 48.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.45 -46.25 56.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.649 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.879 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.3 mm-40 -61.21 -51.8 67.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.631 0.729 . . . . 0.0 109.113 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 109' ' ' MET . 63.6 tp -58.34 -43.23 88.18 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.213 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.519 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 84.5 mtt180 -77.7 -45.12 25.77 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.626 -175.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 65.9 t-80 -50.99 -37.28 43.93 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.164 0.507 . . . . 0.0 111.257 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.788 HG13 ' HA ' ' A' ' 92' ' ' PHE . 7.2 p -86.96 -40.69 14.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.899 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.641 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.12 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -168.034 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.88 -16.85 2.86 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.519 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 7.7 t30 -86.78 -173.55 4.53 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.513 ' H ' ' ND2' ' A' ' 111' ' ' ASN . 25.5 tp -37.84 119.35 0.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.303 0.641 . . . . 0.0 112.138 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 118.342 -1.254 . . . . 0.0 111.67 -179.252 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.611 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.61 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.757 0.313 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -97.85 155.8 16.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? -80.67 -28.36 36.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.28 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -63.59 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 110.098 177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.14 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.048 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.2 tpt -58.58 -36.52 74.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.717 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 48' ' ' LEU . 62.1 mt -61.18 -46.29 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.288 0.566 . . . . 0.0 109.627 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.63 -21.71 64.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.57 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.59 -43.92 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.224 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.2 t -97.18 -31.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -167.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 24.3 t0 -67.05 123.39 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.259 0.552 . . . . 0.0 110.291 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.91 15.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.575 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -118.63 -3.03 10.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.491 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.79 32.12 73.7 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.102 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -92.31 -0.48 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.331 0.566 . . . . 0.0 111.053 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.73 -0.81 56.64 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.706 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -158.88 175.03 14.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.708 HD13 ' HG3' ' A' ' 71' ' ' MET . 0.1 OUTLIER -94.69 142.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.632 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.1 m-20 -113.0 179.38 3.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 86' ' ' ARG . 70.8 m-85 -55.75 -52.54 71.37 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.854 174.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.1 Cg_endo -52.73 -50.58 13.55 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.95 -52.23 66.31 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 71' ' ' MET . 73.7 t80 -61.54 -48.84 79.2 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 HG23 ' A' ' 85' ' ' ILE . 3.7 mm? -58.78 -45.46 89.76 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.252 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.576 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 48.3 m -63.79 -35.3 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 111.401 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.708 ' HG3' HD13 ' A' ' 63' ' ' ILE . 97.2 mmm -51.95 -43.03 63.33 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.556 0.217 . . . . 0.0 110.934 173.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 74' ' ' ARG . 53.9 tpp -74.53 -60.81 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.664 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -46.81 -6.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.476 ' H ' ' C ' ' A' ' 72' ' ' MET . 32.0 mtm180 -47.57 -40.73 19.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.908 0.322 . . . . 0.0 111.495 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.59 -57.66 2.25 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.629 168.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.664 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.2 ptt? -106.41 135.73 47.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -101.52 114.94 29.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -172.21 100.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.13 177.03 5.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.254 -177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -75.69 -166.25 0.53 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 162.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.423 ' O ' HG12 ' A' ' 85' ' ' ILE . 58.8 p -69.77 157.34 37.52 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.367 0.603 . . . . 0.0 111.662 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 33.6 mt-10 -67.91 -26.26 65.9 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.302 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -69.53 -40.68 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.536 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 50.3 mm -60.5 -41.65 88.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.347 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 43.3 mtm180 -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.455 0.645 . . . . 0.0 110.096 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.93 -33.01 70.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.558 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.13 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.151 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.666 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.1 m-85 -59.64 -30.82 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -76.02 -35.91 59.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.732 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.46 -47.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.526 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.485 ' CD2' HG13 ' A' ' 108' ' ' VAL . 13.5 m-85 -60.7 -44.43 96.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.953 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.96 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 12.3 t70 -68.73 148.64 50.07 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.323 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 98.4 mttt -70.66 -46.21 63.66 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.663 0.744 . . . . 0.0 110.423 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 7.8 p-10 -106.8 9.6 30.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.101 -172.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 49.09 38.82 25.67 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 114.754 -1.112 . . . . 0.0 115.069 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 3.5 p-10 -76.51 21.85 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.849 1.324 . . . . 0.0 113.187 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.03 21.39 78.44 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.423 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.666 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 65.4 m-85 -146.51 148.85 32.62 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.787 HG21 HD21 ' A' ' 105' ' ' LEU . 38.5 mt -106.93 102.36 13.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.102 0.477 . . . . 0.0 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.678 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 6.6 m -97.81 -179.78 4.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.91 16.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -51.99 -32.57 34.28 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.073 0.463 . . . . 0.0 111.246 174.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.96 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.1 mm-40 -75.41 -42.93 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.502 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.787 HD21 HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.36 -45.55 65.8 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.498 -179.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.478 ' HD2' HD13 ' A' ' 48' ' ' LEU . 88.1 mtt180 -76.29 -41.09 49.94 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.691 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.489 ' CE1' ' HA2' ' A' ' 113' ' ' GLY . 47.9 t60 -49.85 -45.75 50.68 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.235 0.54 . . . . 0.0 111.537 175.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 92' ' ' PHE . 11.4 p -84.18 -38.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.538 -177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.697 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 16.7 ttp -74.3 -73.0 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.853 -169.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -129.8 -15.08 3.95 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.487 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 63.1 t30 -92.98 -173.88 3.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -175.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.487 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 59.3 tp -54.3 125.88 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.592 0.357 . . . . 0.0 110.644 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' HA2' ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.297 -1.279 . . . . 0.0 111.795 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.6 'CA ' ' OD1' ' A' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.624 0.25 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.99 145.05 24.85 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 102' ' ' ALA . 4.5 mm? -77.99 5.83 9.04 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HA ' HD13 ' A' ' 52' ' ' ILE . 50.6 tt0 -50.84 -40.46 56.0 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -47.36 85.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.708 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.7 tpt -64.22 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 49' ' ' GLN . 79.6 mt -62.7 -49.16 84.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.39 -19.63 64.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.023 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.44 -43.26 17.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -32.1 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -65.26 123.99 21.01 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.287 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.59 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -97.28 -33.46 11.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.195 -174.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -119.24 5.54 11.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.079 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.56 66.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.777 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.46 1.63 52.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.8 4.52 67.33 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.392 172.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.0 t -160.59 176.98 10.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' HD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -93.25 141.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 168.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.63 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.6 t0 -112.87 178.49 4.27 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.8 m-85 -57.5 -50.61 87.15 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 118.85 0.75 . . . . 0.0 111.451 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 53.1 Cg_exo -54.08 -50.3 14.08 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.241 1.961 . . . . 0.0 112.607 174.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.63 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 2.4 mp0 -58.18 -52.03 67.27 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.429 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' HD1' HG23 ' A' ' 63' ' ' ILE . 34.4 t80 -57.94 -51.71 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.458 0.17 . . . . 0.0 110.787 -174.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 69' ' ' LEU . 3.5 mm? -68.67 -53.98 19.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.03 -46.32 68.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.777 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 51.0 tpp -61.83 -35.67 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.364 0.126 . . . . 0.0 111.048 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 ttp -63.44 -66.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.573 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -55.97 -19.16 11.31 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.5 tpm_? -45.77 -43.93 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.763 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 23.5 mtpp -129.93 -35.14 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.568 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 24.5 mmt -91.92 -173.98 3.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.766 -176.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HE2' ' OG1' ' A' ' 79' ' ' THR . 22.8 pttm -57.74 146.75 30.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 112.412 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -95.54 133.72 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 165.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.493 ' OG1' ' HE2' ' A' ' 77' ' ' LYS . 3.6 m -120.35 107.96 13.57 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.941 -173.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -87.55 98.02 11.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.993 0.901 . . . . 0.0 109.159 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 32.8 m -160.69 62.09 0.31 Allowed 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -52.25 -47.27 65.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.558 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.99 -46.24 82.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.357 0.598 . . . . 0.0 110.52 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 38.2 mt-10 -70.06 -40.76 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.264 -174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 81' ' ' SER . 30.3 mm -70.21 -37.55 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.445 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -63.85 -40.94 97.78 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.492 0.663 . . . . 0.0 109.801 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.1 -32.23 73.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.212 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.68 84.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.6 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 20.1 m-85 -58.16 -30.92 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.917 175.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -77.9 -40.55 39.49 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' A' ' 93' ' ' ASP . 77.5 t -82.39 -39.38 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.082 0.468 . . . . 0.0 111.48 -173.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.736 ' HA ' HG13 ' A' ' 108' ' ' VAL . 44.2 m-85 -74.43 17.24 0.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.73 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.923 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.9 t0 -131.12 149.69 52.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -80.64 -32.66 36.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 109.517 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -112.16 -1.24 15.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.071 -175.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.558 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.87 42.79 29.95 Favored Glycine 0 C--O 1.228 -0.244 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.945 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.562 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.4 p-10 -75.8 20.86 0.17 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.79 1.295 . . . . 0.0 112.998 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.6 21.88 79.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.92 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.562 ' HB2' HD22 ' A' ' 97' ' ' ASN . 56.2 m-85 -148.27 141.06 24.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 76.6 mt -104.58 103.52 15.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.281 0.562 . . . . 0.0 110.305 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.65 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 7.1 m -100.63 166.81 10.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.971 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 48' ' ' LEU . . . -55.13 -54.79 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -53.0 -40.76 64.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.16 0.505 . . . . 0.0 111.853 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.923 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.3 mm-40 -63.04 -43.79 97.71 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 21.1 mt -57.75 -40.16 79.05 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.222 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 10.7 ptt180 -65.82 -47.6 74.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.965 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -54.75 -42.38 71.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.757 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.736 HG13 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -84.51 -48.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.088 0.47 . . . . 0.0 111.326 -176.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.447 ' N ' HG12 ' A' ' 108' ' ' VAL . 10.6 tpt -74.57 -72.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.625 -166.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -122.01 -36.13 3.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.443 HD21 ' HA ' ' A' ' 111' ' ' ASN . 3.4 m120 -83.38 -173.12 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 114.49 1.0 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.072 -173.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 175.31 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.736 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 8.5 tp10 -88.23 108.29 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.64 0.733 . . . . 0.0 111.415 -175.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 ' HA ' ' A' ' 103' ' ' ALA . 9.9 mt -79.09 -25.48 43.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.848 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.09 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.371 0.605 . . . . 0.0 110.029 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.736 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 16.9 t70 -64.04 -47.73 79.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.469 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 tpp -63.98 -31.47 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 48' ' ' LEU . 75.7 mt -65.63 -38.65 82.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -32.58 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.136 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -71.09 -37.02 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 t -85.36 -26.98 6.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.284 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.87 74.8 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.662 0.744 . . . . 0.0 111.209 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.26 62.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.835 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.62 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 5.7 p-10 -116.56 6.06 13.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -169.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.36 70.04 1.36 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 119.967 -1.111 . . . . 0.0 112.548 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -140.06 -20.08 0.89 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.489 . . . . 0.0 111.859 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.44 6.6 80.62 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.445 ' HG1' ' HB3' ' A' ' 99' ' ' TYR . 10.2 t -158.63 -178.42 7.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.507 ' CG2' ' HB ' ' A' ' 100' ' ' ILE . 1.6 tt -93.41 147.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.642 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 8.2 m-20 -102.65 167.58 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 39.3 m-85 -54.54 -55.71 34.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 118.654 0.661 . . . . 0.0 111.788 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 23.2 Cg_endo -61.77 -36.48 73.67 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.778 1.652 . . . . 0.0 111.678 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' HB3' ' H ' ' A' ' 64' ' ' ASP . 6.8 tt0 -62.53 -54.91 32.85 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.997 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.17 -45.61 79.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD22 HG22 ' A' ' 85' ' ' ILE . 3.7 mm? -63.94 -40.41 96.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -76.38 -43.46 40.58 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -36.53 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.751 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 43.7 ttp -62.41 -63.75 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 78' ' ' ASP . . . -56.14 -15.99 4.52 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -52.29 -51.24 59.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 0.0 110.476 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -126.68 -44.87 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 13.2 tpt -78.29 175.32 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.439 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.65 149.34 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.965 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 4.2 p-10 -104.33 137.29 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 173.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.5 m -123.01 118.49 27.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.94 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -94.52 104.0 15.95 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.6 m -167.22 66.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 20.4 tt0 -48.33 -52.62 20.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.555 -165.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 -36.13 72.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.712 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.8 -45.62 60.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.527 HG22 HD22 ' A' ' 69' ' ' LEU . 35.3 mm -67.78 -37.19 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.225 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 16.5 mtp180 -61.72 -42.72 99.32 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.141 0.496 . . . . 0.0 109.978 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.0 tt0 -73.44 -26.61 61.02 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.67 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -66.8 -44.14 82.03 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.7 m-85 -52.83 -41.09 63.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -74.91 -25.62 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.611 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 87' ' ' GLU . 41.2 t -79.86 -44.0 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.772 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 5.3 m-85 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.424 0.63 . . . . 0.0 109.398 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.663 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 9.8 t0 -57.97 141.7 48.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.649 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 97.0 mttt -76.26 -41.18 49.81 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 109.672 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -105.07 2.59 29.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.724 -170.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.28 35.88 51.35 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.848 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.471 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -75.01 -0.59 19.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.785 1.293 . . . . 0.0 111.657 178.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.5 22.84 27.96 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.368 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.4 m-85 -152.55 146.73 25.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.93 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.507 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 65.7 mt -108.99 101.84 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.595 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.64 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -101.71 -179.36 3.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -62.44 -54.59 37.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.803 0.274 . . . . 0.0 111.337 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -48.35 -44.91 34.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.099 0.476 . . . . 0.0 111.27 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.3 mm-40 -63.94 -47.65 79.62 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.577 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' A' ' 109' ' ' MET . 42.5 tp -57.21 -45.48 83.76 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.782 -174.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 6.8 mtp180 -63.61 -44.37 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.226 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.52 ' CD2' ' HA2' ' A' ' 113' ' ' GLY . 6.6 t-80 -48.26 -45.63 34.75 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.735 0.647 . . . . 0.0 112.02 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.772 ' HB ' ' HA ' ' A' ' 92' ' ' PHE . 12.1 p -85.61 -30.31 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.58 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 19.7 ttt -81.02 -73.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.228 -166.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -129.45 -20.07 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.618 -0.676 . . . . 0.0 112.043 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 55.5 t30 -79.62 -174.9 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -70.22 132.74 46.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.085 0.469 . . . . 0.0 111.035 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.52 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.36 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.642 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -125.89 148.84 49.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 1.016 HD13 ' HD2' ' A' ' 106' ' ' ARG . 2.7 mm? -81.51 3.39 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -171.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -57.3 -31.3 65.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -58.01 -57.62 12.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.23 0.538 . . . . 0.0 109.776 174.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 16.2 tpt -59.58 -32.74 70.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.968 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.4 mt -64.49 -39.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' HA ' ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -74.42 -19.59 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.659 -178.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -82.57 -32.09 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 51' ' ' MET . 79.8 t -84.93 -33.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD2' ' HA ' ' A' ' 53' ' ' ASN . 2.7 p30 -61.65 131.88 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 110.978 177.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.1 -29.08 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.735 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.598 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 6.9 p-10 -122.05 -0.73 9.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.489 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.72 25.78 48.65 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.669 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -76.99 -6.75 53.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.657 1.229 . . . . 0.0 111.809 171.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.28 -1.21 86.04 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.918 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -144.56 159.57 42.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -88.03 142.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 171.149 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.9 t70 -110.07 173.13 6.47 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.677 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 97.4 m-85 -50.61 -55.45 26.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.483 0.583 . . . . 0.0 112.336 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 34.8 Cg_exo -60.06 -38.64 76.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.919 1.746 . . . . 0.0 112.749 177.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 46.8 mt-10 -68.33 -42.88 78.66 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.837 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 63' ' ' ILE . 77.6 t80 -56.36 -49.01 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.743 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD13 ' HE2' ' A' ' 77' ' ' LYS . 4.1 mm? -64.06 -34.66 78.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.014 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.3 m -76.97 -45.08 28.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.417 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.694 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 21.3 mmt -63.17 -37.49 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.322 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 tpt -64.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB3' ' HD3' ' A' ' 77' ' ' LYS . . . -51.18 -14.62 0.26 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.694 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 12.5 mmm180 -47.0 -43.6 19.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.177 0.513 . . . . 0.0 110.408 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -118.15 -54.28 2.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.886 174.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -115.72 126.55 54.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.945 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HE2' HD13 ' A' ' 69' ' ' LEU . 20.8 tptp -95.74 122.17 38.23 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.365 173.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -98.13 -156.61 0.55 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.867 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.2 m -65.08 133.3 51.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.535 ' HB3' ' HZ1' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -130.03 79.25 1.89 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.533 0.682 . . . . 0.0 112.017 174.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 85' ' ' ILE . 11.4 m -114.51 117.74 31.79 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 164.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 43.8 tt0 -50.07 -43.29 51.2 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.359 0.412 . . . . 0.0 111.791 -167.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.43 -38.89 88.41 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.55 -38.69 91.88 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 51.0 mm -60.61 -40.37 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.095 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 47.4 mtt180 -61.85 -42.63 99.27 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 91' ' ' VAL . 27.3 tt0 -73.1 -27.93 61.99 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.484 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.945 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.739 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 7.9 m-85 -59.81 -29.68 68.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.775 174.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 90' ' ' ARG . 39.2 ttt180 -75.55 -34.38 60.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.068 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 87' ' ' GLU . 94.8 t -82.1 -40.86 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.53 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.718 ' HA ' HG21 ' A' ' 108' ' ' VAL . 56.8 m-85 -77.9 17.08 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.496 . . . . 0.0 111.597 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.858 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 47.6 t0 -129.98 144.32 51.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -77.66 -26.7 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.414 0.626 . . . . 0.0 109.88 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -116.14 0.65 13.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.827 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.4 45.81 16.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.514 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -77.03 16.59 0.53 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.834 1.317 . . . . 0.0 112.175 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.1 66.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.885 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.739 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 63.4 m-85 -148.75 145.09 27.46 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 86.5 mt -110.08 100.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.558 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 23.1 t -99.51 163.21 12.6 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' HB3' ' CG ' ' A' ' 51' ' ' MET . . . -53.63 -53.96 44.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.725 0.297 . . . . 0.0 111.029 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.576 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . . . -50.34 -49.12 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.111 175.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.858 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -58.65 -50.33 74.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.3 0.571 . . . . 0.0 109.683 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.762 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.5 tt -58.57 -48.09 82.06 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.914 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 1.016 ' HD2' HD13 ' A' ' 48' ' ' LEU . 50.8 mtt180 -74.22 -29.82 61.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.665 -174.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.709 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 41.8 m80 -80.24 -24.39 40.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.604 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 92' ' ' PHE . 33.8 m -88.02 -25.58 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.833 0.825 . . . . 0.0 108.943 171.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.762 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 18.1 ttt -77.02 -73.31 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.748 -175.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 -26.68 2.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.077 0.465 . . . . 0.0 111.637 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.709 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.3 m120 -71.27 -172.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.72 120.69 21.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -173.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.878 0 CA-C-O 118.482 -1.176 . . . . 0.0 111.567 178.792 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.598 'CA ' ' OD1' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.611 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.882 0.372 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.99 134.25 33.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.198 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.4 mm? -71.97 0.57 9.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.8 mt-30 -61.08 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.348 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.81 -48.9 79.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.218 0.532 . . . . 0.0 109.909 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt -61.1 -32.42 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.421 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 49' ' ' GLN . 79.3 mt -65.25 -45.92 92.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.968 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.88 -33.19 75.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.124 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.15 -42.86 18.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 111.351 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -78.0 -32.92 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.701 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -59.22 128.94 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.701 0.763 . . . . 0.0 111.423 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.92 -38.84 8.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.388 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -96.57 -17.04 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.614 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.6 20.37 64.07 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.996 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -81.26 -6.1 58.5 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 117.527 0.664 . . . . 0.0 111.632 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 7.26 55.86 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.526 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -159.64 170.07 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.515 . . . . 0.0 110.645 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.506 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -87.48 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.559 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.9 t70 -112.84 178.66 4.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.48 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 73.5 m-85 -55.75 -52.43 72.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 118.48 0.582 . . . . 0.0 111.448 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 11.7 Cg_endo -55.9 -44.4 47.76 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.056 1.837 . . . . 0.0 112.581 176.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.7 mt-10 -64.38 -53.17 52.79 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.476 ' HD1' HG23 ' A' ' 63' ' ' ILE . 44.0 t80 -58.17 -47.38 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.96 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD21 HG23 ' A' ' 85' ' ' ILE . 4.1 mm? -64.69 -45.03 88.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 88.1 m -65.82 -48.02 73.09 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.036 -175.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -32.86 74.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.007 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.2 tpp -74.23 -69.31 0.46 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.387 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -15.36 2.86 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 70' ' ' THR . 33.8 ttt180 -41.3 -39.95 1.53 Allowed 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.57 0.544 . . . . 0.0 110.586 175.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -129.62 -43.44 1.26 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.389 173.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.659 ' HE3' ' HB3' ' A' ' 78' ' ' ASP . 16.5 tpt -112.23 116.45 30.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.087 -171.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 77' ' ' LYS . 19.5 tptm -110.54 115.98 30.58 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.608 170.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.659 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 6.4 p-10 -134.76 0.55 2.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.766 -177.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.82 150.02 23.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.243 1.021 . . . . 0.0 113.262 -171.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.55 -148.64 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.146 -1.843 . . . . 0.0 109.209 165.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -78.84 176.6 9.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.49 -164.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.4 tt0 -58.64 -25.88 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 16.7 mm-40 -52.61 -46.21 66.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 111.029 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -39.76 93.8 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.919 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.494 HG23 HD21 ' A' ' 69' ' ' LEU . 47.9 mm -62.0 -39.61 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.921 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 80.2 mtp180 -62.04 -45.23 94.48 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.466 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.95 -27.5 67.51 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.56 69.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -55.79 -35.89 66.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.591 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -64.61 -48.89 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -86.35 -33.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.871 -168.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.782 ' HA ' HG12 ' A' ' 108' ' ' VAL . 45.2 m-85 -83.3 14.8 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 111.193 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 1.011 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 14.9 t70 -127.06 148.4 50.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.2 -46.49 86.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.469 0.652 . . . . 0.0 110.512 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 13.1 p-10 -111.93 16.91 20.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.093 -172.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.51 37.42 3.63 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 4.1 p-10 -76.57 22.4 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.0 21.94 75.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.149 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -149.82 152.06 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.506 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 73.9 mt -115.51 112.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.052 0.454 . . . . 0.0 110.666 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.744 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.6 t -110.99 174.74 5.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HB2' HG13 ' A' ' 52' ' ' ILE . . . -68.85 -54.19 17.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.587 0.232 . . . . 0.0 111.609 -175.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.41 30.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.263 0.554 . . . . 0.0 111.432 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 1.011 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -69.56 -39.27 77.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.007 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 109' ' ' MET . 47.1 mt -59.07 -46.63 87.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.898 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.808 ' HG3' ' HB2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -66.61 -39.91 88.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.944 -177.307 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.965 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 7.5 t-80 -48.82 -51.91 26.96 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.823 0.702 . . . . 0.0 111.992 173.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.782 HG12 ' HA ' ' A' ' 92' ' ' PHE . 11.6 p -86.95 -40.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.526 -172.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -71.15 -69.57 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.768 -168.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -131.0 -40.14 1.18 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.808 ' HB2' ' HG3' ' A' ' 106' ' ' ARG . 16.2 m120 -93.47 -172.47 2.93 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.385 0.612 . . . . 0.0 111.708 -175.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.68 136.95 36.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.956 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.965 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.222 -1.321 . . . . 0.0 112.156 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.869 0.366 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.49 93.05 7.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.583 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 102' ' ' ALA . 3.5 mm? -70.28 0.27 6.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -173.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 52' ' ' ILE . 8.7 tt0 -58.2 -35.24 71.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.155 0.502 . . . . 0.0 109.713 174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.11 -50.96 69.6 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.745 0.784 . . . . 0.0 109.67 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 tpp -63.73 -30.71 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.724 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 49' ' ' GLN . 75.7 mt -63.71 -43.55 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -69.15 -22.42 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.488 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -89.92 -27.76 19.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.2 -32.81 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -56.63 115.57 2.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 122.035 0.921 . . . . 0.0 111.593 179.093 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.644 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -99.33 -44.21 6.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.253 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.99 -17.07 28.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 87.04 17.6 59.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.728 -0.669 . . . . 0.0 113.63 175.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -89.17 4.58 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.346 0.573 . . . . 0.0 111.125 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.67 1.11 89.21 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.63 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -142.6 156.62 45.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.946 0.403 . . . . 0.0 110.432 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.64 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -80.04 141.31 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.302 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.607 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 1.7 m-20 -112.52 172.2 7.06 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -176.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 95.8 m-85 -52.47 -51.26 74.58 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 118.322 0.51 . . . . 0.0 110.906 175.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 77.5 Cg_exo -52.98 -48.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.362 2.042 . . . . 0.0 112.897 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.644 ' HG2' ' HB1' ' A' ' 57' ' ' ALA . 49.8 mt-10 -65.92 -53.14 43.18 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.553 ' HD1' HG21 ' A' ' 63' ' ' ILE . 39.9 t80 -60.07 -44.99 94.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.396 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' HA ' HD22 ' A' ' 69' ' ' LEU . 12.2 mt -61.64 -41.26 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.691 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.4 m -74.51 -38.88 62.71 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.608 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.31 -37.68 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 53.0 ttm -71.48 -68.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.107 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -52.28 -15.73 0.68 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -44.11 -51.66 7.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.018 0.437 . . . . 0.0 110.711 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -131.06 -20.01 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.223 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.514 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 4.4 mpp? -95.21 -177.28 4.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.204 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -66.04 149.15 50.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.113 0.482 . . . . 0.0 111.576 -176.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.76 136.77 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.751 ' HB ' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -95.65 171.99 8.33 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 122.034 0.921 . . . . 0.0 113.275 -171.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.4 -143.32 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.03 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -46.59 138.56 5.82 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.617 1.167 . . . . 0.0 112.502 -160.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.57 -26.1 68.41 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.038 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.8 -35.31 76.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.169 0.509 . . . . 0.0 110.717 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.01 -50.44 55.49 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.403 0.62 . . . . 0.0 109.483 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 79' ' ' THR . 30.8 mm -61.31 -34.91 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.08 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.511 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 71.2 ttt180 -60.75 -42.4 97.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.575 176.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.52 ' O ' HG21 ' A' ' 91' ' ' VAL . 32.3 tt0 -69.3 -32.73 72.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.561 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.74 90.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.906 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' HA ' HD12 ' A' ' 100' ' ' ILE . 14.8 m-85 -56.75 -36.75 70.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -78.08 -25.74 47.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.959 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 87' ' ' GLU . 89.6 t -83.24 -38.95 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.914 0.388 . . . . 0.0 111.429 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.736 ' HA ' HG23 ' A' ' 108' ' ' VAL . 57.5 m-85 -79.16 15.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.497 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.617 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 37.3 t0 -125.46 144.83 50.35 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -73.41 -41.48 63.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.527 0.679 . . . . 0.0 110.599 175.234 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.68 0.6 24.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.676 -171.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.98 36.92 35.2 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.684 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -75.24 1.62 13.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.251 1.025 . . . . 0.0 112.218 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.96 42.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.486 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.684 ' HB2' HD22 ' A' ' 97' ' ' ASN . 62.6 m-85 -149.49 142.71 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.64 ' HB ' HG22 ' A' ' 63' ' ' ILE . 82.8 mt -110.26 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.367 0.603 . . . . 0.0 110.302 -173.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.685 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 12.7 m -101.64 176.5 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.577 ' HB3' HD12 ' A' ' 48' ' ' LEU . . . -64.42 -54.2 36.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.8 -41.51 61.77 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.827 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 4.4 mm-40 -57.07 -46.56 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.341 0.591 . . . . 0.0 109.419 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.13 -51.37 68.15 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.034 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 26.6 ptt180 -58.58 -34.58 71.25 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -175.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.59 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 12.1 t60 -74.47 -41.56 60.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.339 0.59 . . . . 0.0 110.178 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.736 HG23 ' HA ' ' A' ' 92' ' ' PHE . 17.5 m -86.52 -30.83 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.993 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.32 -74.71 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.73 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -132.33 -39.59 1.03 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.733 0.697 . . . . 0.0 112.549 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.7 m120 -72.27 -168.23 0.39 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 57.6 mt -38.68 109.78 0.11 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.974 0.909 . . . . 0.0 112.596 -173.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.235 -1.314 . . . . 0.0 111.09 179.808 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . 0.607 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . 0.596 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 49' ' ' GLN . 39.3 tt0 -115.08 150.06 36.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 52' ' ' ILE . 8.1 mp -74.01 4.97 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.633 ' HA ' HD11 ' A' ' 52' ' ' ILE . 34.7 tt0 -51.82 -36.83 49.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.515 0.198 . . . . 0.0 111.358 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.63 -48.18 82.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.185 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.5 tpp -58.31 -36.55 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.444 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.634 HG12 ' HB2' ' A' ' 102' ' ' ALA . 55.8 mt -60.71 -40.16 83.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.006 0.432 . . . . 0.0 109.838 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.17 -24.77 54.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.154 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -46.43 12.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 -177.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.14 -31.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.036 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 16.1 t0 -61.96 127.28 30.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.68 -30.37 12.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.445 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -106.95 -15.83 14.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.022 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.31 71.46 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.63 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.63 -3.04 45.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.358 0.579 . . . . 0.0 111.247 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.51 3.22 58.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.638 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.6 t -160.8 177.44 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.975 0.417 . . . . 0.0 110.312 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.608 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.37 138.85 19.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 167.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.617 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 8.0 t0 -110.89 176.04 5.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 76.8 m-85 -53.24 -51.8 71.98 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 118.602 0.637 . . . . 0.0 111.512 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.0 Cg_endo -56.72 -47.85 21.52 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.139 1.893 . . . . 0.0 112.38 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.2 mt-10 -61.5 -49.3 77.29 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.337 -178.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 57.0 t80 -59.03 -51.13 71.4 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.921 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -62.78 -43.63 98.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -68.76 -43.24 76.21 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.679 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -70.33 -28.86 65.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.968 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpt -74.47 -68.92 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 78' ' ' ASP . . . -52.89 -14.54 0.58 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -44.15 -51.35 8.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.562 0.539 . . . . 0.0 110.317 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -129.93 -25.25 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.246 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.474 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 1.9 mpt? -96.13 -174.03 2.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.563 -175.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -43.29 137.02 2.81 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.254 -0.884 . . . . 0.0 113.3 178.135 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.576 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 26.1 t70 -93.64 11.37 29.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.446 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.494 ' HB ' ' CE ' ' A' ' 77' ' ' LYS . 60.8 m -58.22 110.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.406 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.425 ' OD1' ' HG ' ' A' ' 69' ' ' LEU . 34.7 t70 -119.3 80.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 109.958 172.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 85' ' ' ILE . 4.4 p -112.02 108.79 18.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 167.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 32.1 tt0 -57.83 -36.9 72.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.503 -164.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.72 93.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.109 0.413 . . . . 0.0 111.13 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -69.45 -38.78 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.626 0.727 . . . . 0.0 109.308 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 HG21 HD22 ' A' ' 69' ' ' LEU . 47.3 mm -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.25 176.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.2 mtp180 -63.9 -36.17 83.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.75 -41.82 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.232 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HA ' HG11 ' A' ' 91' ' ' VAL . . . -68.91 -42.62 76.6 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.176 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 100' ' ' ILE . 7.1 m-85 -54.08 -32.99 56.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.724 0.297 . . . . 0.0 111.607 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.53 -36.67 52.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.439 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 88' ' ' ALA . 1.1 p -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.662 ' HA ' HG13 ' A' ' 108' ' ' VAL . 27.0 m-85 -85.35 13.25 6.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.244 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 1.021 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.8 t70 -134.11 151.08 51.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -73.13 -41.94 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.54 0.685 . . . . 0.0 110.242 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -3.25 44.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.94 -173.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.96 7.48 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.184 -0.462 . . . . 0.0 113.547 -171.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.419 HD22 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -76.76 23.01 0.17 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.23 21.29 79.84 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.02 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' HB2' HD22 ' A' ' 97' ' ' ASN . 68.8 m-85 -147.92 147.78 30.09 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 70.7 mt -111.96 103.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.212 0.529 . . . . 0.0 110.375 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.644 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 3.7 m -95.18 164.17 12.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.17 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.634 ' HB2' HG12 ' A' ' 52' ' ' ILE . . . -58.32 -54.42 47.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.47 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -53.46 -25.86 17.98 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 1.021 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -74.24 -35.34 63.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.819 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 102' ' ' ALA . 2.0 mm? -55.84 -42.61 76.01 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.54 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 5.8 ptt180 -72.73 -36.82 67.84 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.856 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.655 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 24.3 t-80 -53.91 -49.71 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.618 173.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.662 HG13 ' HA ' ' A' ' 92' ' ' PHE . 6.0 p -85.71 -50.56 14.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.422 ' N ' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -68.01 -72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.828 -163.162 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -40.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -75.06 -168.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 92.6 mt -48.28 123.56 6.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.914 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.964 -178.717 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 120.853 0.359 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.573 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 9.6 tp10 -86.77 114.14 23.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' A' ' 106' ' ' ARG . 42.1 mt -67.52 -31.57 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.657 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.81 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 12.2 t70 -60.32 -53.39 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.589 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.33 -39.83 89.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.251 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.714 HG13 ' HB1' ' A' ' 102' ' ' ALA . 54.7 mt -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.1 0.476 . . . . 0.0 110.125 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.09 -24.65 59.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.438 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -81.5 -38.77 25.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.2 t -77.14 -30.3 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -55.69 107.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.83 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -97.66 -46.45 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.949 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -120.38 -3.18 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.295 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.95 78.88 1.21 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.206 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 62' ' ' THR . 7.0 m120 -127.93 -24.68 3.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.317 -0.942 . . . . 0.0 110.552 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 4.77 58.24 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 94.7 m -158.08 169.58 24.21 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.034 -1.583 . . . . 0.0 107.814 -169.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.622 HG23 ' HB ' ' A' ' 100' ' ' ILE . 1.8 tt -90.5 144.69 8.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 171.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.6 t0 -111.41 171.05 7.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.836 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 86.0 m-85 -54.01 -53.06 62.49 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 118.642 0.655 . . . . 0.0 112.04 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.7 Cg_endo -57.97 -42.82 54.34 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.047 1.832 . . . . 0.0 112.228 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.83 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 6.1 mt-10 -70.89 -41.3 71.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.575 ' HD1' HG22 ' A' ' 63' ' ' ILE . 60.4 t80 -58.91 -47.51 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.207 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.5 mt -68.37 -37.1 80.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.878 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -74.51 -43.35 56.31 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.35 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 mmt -59.19 -34.66 72.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 76' ' ' MET . 55.0 ttm -69.67 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.927 174.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.637 ' HB2' ' HE3' ' A' ' 77' ' ' LYS . . . -54.56 -15.42 1.75 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -40.4 -48.22 2.69 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.844 0.715 . . . . 0.0 110.501 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -129.53 -41.37 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.113 170.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.446 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.7 mmt -107.14 117.43 34.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -167.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HE3' ' HB2' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -109.3 115.66 30.4 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.294 170.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -165.18 81.11 0.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.62 HG22 HD13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -119.12 170.47 9.04 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.969 0.89 . . . . 0.0 112.562 -169.046 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -101.13 -168.93 1.63 Allowed 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 113.885 -1.507 . . . . 0.0 107.738 161.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.747 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 33.7 t -59.62 146.9 39.28 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 30.9 tt0 -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.638 0.256 . . . . 0.0 110.757 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.38 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.747 ' HG2' ' HB3' ' A' ' 81' ' ' SER . 21.0 mm-40 -65.05 -34.71 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.641 175.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.62 HD13 HG22 ' A' ' 79' ' ' THR . 43.6 mm -63.22 -38.31 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.614 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.836 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 80.9 mtt180 -65.31 -40.65 94.05 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.8 0.81 . . . . 0.0 110.027 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' O ' HG21 ' A' ' 91' ' ' VAL . 39.1 tt0 -68.21 -31.59 71.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.584 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.58 82.76 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.108 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.1 m-85 -56.97 -35.01 68.65 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -74.6 -30.84 61.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 108' ' ' VAL . 68.8 t -82.67 -44.69 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.539 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -75.3 18.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.9 0.48 . . . . 0.0 112.175 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.954 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 38.4 t0 -123.65 142.49 51.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.781 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 96.1 mttt -65.32 -44.3 88.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.865 0.841 . . . . 0.0 109.83 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.74 -0.1 25.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.585 -173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.621 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.91 44.61 31.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 115.209 0.844 . . . . 0.0 115.209 -175.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.406 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -76.41 15.48 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.714 1.257 . . . . 0.0 112.397 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 22.81 57.27 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.04 174.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.5 m-85 -154.24 154.32 33.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -176.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.622 ' HB ' HG23 ' A' ' 63' ' ' ILE . 65.1 mt -116.78 102.1 13.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 0.0 111.2 -176.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.719 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 2.0 m -92.46 159.38 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 175.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.714 ' HB1' HG13 ' A' ' 52' ' ' ILE . . . -53.03 -50.93 63.27 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.106 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' HD11 ' A' ' 48' ' ' LEU . . . -50.85 -50.45 56.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.854 175.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.954 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.0 mm-40 -58.85 -47.94 83.11 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.917 0.865 . . . . 0.0 109.372 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.22 -42.9 92.11 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.054 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.845 ' HG3' ' HB3' ' A' ' 111' ' ' ASN . 2.9 ptt180 -67.51 -41.87 83.73 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.21 -175.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' CD2' ' HA2' ' A' ' 113' ' ' GLY . 33.5 t-80 -50.66 -46.12 58.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.337 0.589 . . . . 0.0 111.6 173.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.523 HG23 ' HD1' ' A' ' 107' ' ' HIS . 2.4 t -88.11 -43.52 15.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.473 0.654 . . . . 0.0 111.869 -174.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -71.3 0.25 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.201 -170.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 t -124.35 -40.14 2.27 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.845 ' HB3' ' HG3' ' A' ' 106' ' ' ARG . 9.4 t-20 -80.22 -172.35 3.44 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.538 -0.101 . . . . 0.0 110.864 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.463 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 89.5 mt -59.87 125.94 25.61 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.008 0.433 . . . . 0.0 111.768 -172.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.544 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.915 -0.936 . . . . 0.0 111.457 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 52' ' ' ILE . 83.3 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.366 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 52' ' ' ILE . 59.0 tt0 -59.84 -34.86 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.09 -35.03 76.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.244 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.6 tpp -68.48 -35.73 77.94 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 70.3 mt -60.51 -37.8 76.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -75.07 -26.05 59.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.588 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.57 -25.67 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -86.37 -31.91 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.196 0.522 . . . . 0.0 110.201 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.579 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 29.0 t70 -55.61 114.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.221 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.52 -38.3 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.561 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -116.03 -11.39 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.87 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 102.14 8.91 43.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.375 -0.917 . . . . 0.0 114.999 176.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -80.16 -5.8 56.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.339 1.07 . . . . 0.0 110.923 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.87 -0.42 82.6 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.813 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -143.56 155.14 44.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.5 140.63 16.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.142 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.639 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 9.3 t0 -111.12 175.36 5.45 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 177.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 85.1 m-85 -55.29 -51.37 80.4 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 118.61 0.641 . . . . 0.0 111.657 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 48.6 Cg_exo -57.79 -44.04 44.26 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.11 1.873 . . . . 0.0 112.188 176.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.639 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.6 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.338 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 66.8 t80 -56.59 -45.97 81.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.25 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -66.43 -38.76 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.899 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -74.72 -45.98 40.54 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.161 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.91 0.385 . . . . 0.0 110.926 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.76 -69.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.911 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.2 -13.8 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 . . . . . 0 C--N 1.334 -0.107 0 O-C-N 123.811 0.694 . . . . 0.0 110.868 178.141 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 27.5 mt-10 -55.88 -54.19 47.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.999 173.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.63 -40.97 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.591 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 39.3 mm -64.98 -39.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.729 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 21.3 ttm180 -67.22 -39.67 86.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.1 mm-40 -59.01 -40.82 86.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.736 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -60.36 -43.55 96.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.856 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.593 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 15.6 m-85 -55.86 -44.93 78.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -76.17 -24.3 54.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.279 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.471 HG12 HG21 ' A' ' 108' ' ' VAL . 30.6 t -78.03 -49.99 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.642 ' HA ' HG11 ' A' ' 108' ' ' VAL . 12.0 m-85 -62.77 -48.66 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.688 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.895 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.2 t70 -64.26 149.2 48.52 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.522 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.31 -40.07 71.04 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.17 1.73 42.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.492 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.09 32.99 13.24 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.899 -0.591 . . . . 0.0 113.942 -171.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.06 19.94 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 117.988 0.894 . . . . 0.0 113.194 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.4 22.6 64.6 Favored Glycine 0 C--O 1.228 -0.236 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.229 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 93' ' ' ASP . 55.0 m-85 -148.5 153.36 38.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.653 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.0 mt -118.17 107.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.929 0.395 . . . . 0.0 110.471 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 21.9 t -104.24 173.69 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.213 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 105' ' ' LEU . . . -63.88 -53.35 51.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.663 0.268 . . . . 0.0 111.344 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.41 -39.68 57.75 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.967 0.413 . . . . 0.0 111.669 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.895 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.0 mm-40 -66.94 -39.23 87.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.001 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 109' ' ' MET . 21.0 mt -52.82 -44.78 66.93 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.776 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 49.8 mtt180 -71.19 -36.71 72.03 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.463 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 104' ' ' GLU . 22.3 t60 -49.29 -52.83 25.16 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.357 0.599 . . . . 0.0 111.555 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.7 p -86.89 -38.73 12.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.22 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.683 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.0 ttt -71.31 -71.69 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.402 -169.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -128.13 -34.07 2.14 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 5.5 t30 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 103' ' ' ALA . 3.1 mm? . . . . . 0 C--O 1.223 -0.326 0 CA-C-O 120.19 0.043 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 110.291 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.5 -48.75 79.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.626 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.48 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 12.6 tpt -67.79 -31.96 72.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.668 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.608 HG13 ' HB3' ' A' ' 102' ' ' ALA . 70.6 mt -62.68 -46.07 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.52 -31.02 71.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.994 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -81.48 -31.39 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.84 -31.16 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.48 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 28.2 t0 -60.36 87.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.624 0.726 . . . . 0.0 112.247 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.41 -40.53 50.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.782 -1.099 . . . . 0.0 113.057 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 39.1 m-20 -89.66 -18.55 26.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.206 -177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 93.37 3.4 65.01 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.369 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.569 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 5.6 p-10 -77.21 -0.21 24.28 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.85 84.42 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.039 -0.601 . . . . 0.0 113.363 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 60' ' ' ASN . 5.5 t -159.65 163.79 34.61 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -82.01 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.287 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.428 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -111.53 175.58 5.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 81.7 m-85 -53.54 -51.29 77.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 52.5 Cg_exo -58.25 -41.58 65.19 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.735 1.623 . . . . 0.0 112.38 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.689 ' HB3' HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.92 -54.21 45.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HA ' HD13 ' A' ' 63' ' ' ILE . 51.7 t80 -57.62 -45.05 85.86 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.91 -176.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.561 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -76.06 -42.08 48.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.872 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -64.17 -31.4 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.309 175.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.93 -67.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.82 -15.31 0.71 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.3 tpm_? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 6.6 pt-20 -64.29 -46.68 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 15.6 tp10 -68.88 -39.12 79.96 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.9 mm -67.32 -39.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 7.4 tmm_? -63.98 -41.42 97.53 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.249 0.547 . . . . 0.0 109.783 176.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -67.32 -33.4 75.19 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.582 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.427 ' O ' ' HD2' ' A' ' 92' ' ' PHE . . . -65.63 -40.46 92.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 175.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 100' ' ' ILE . 8.5 m-85 -55.28 -41.15 71.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 68.6 mtp180 -73.06 -29.95 63.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.337 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.9 t -78.83 -49.52 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.491 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' HA ' HG11 ' A' ' 108' ' ' VAL . 55.8 m-85 -63.04 -44.31 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 0.0 110.784 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.876 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.6 t0 -65.24 142.49 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.545 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -87.74 -31.28 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.389 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.63 -4.97 23.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.615 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 53.56 38.36 58.18 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.004 -0.998 . . . . 0.0 115.126 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -73.53 -1.91 20.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.937 1.369 . . . . 0.0 112.033 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.22 22.28 27.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.614 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -151.07 143.62 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.664 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 69.3 mt -108.25 103.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.542 0.687 . . . . 0.0 111.122 -171.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.748 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 15.1 m -103.17 176.36 5.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.496 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -60.59 -54.43 45.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -49.91 -42.29 47.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.876 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -62.09 -46.46 88.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' ' HB2' ' A' ' 109' ' ' MET . 43.7 mt -61.36 -51.38 69.04 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.071 -176.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.699 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 9.7 mtp85 -69.26 -22.37 63.84 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.935 -176.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -73.93 -38.93 64.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.52 0.676 . . . . 0.0 109.822 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -87.71 -32.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.466 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.618 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.8 tmm? -81.02 -74.89 0.3 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.692 -166.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' SD ' ' A' ' 109' ' ' MET . 9.8 p -132.0 -28.57 1.74 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.355 0.98 . . . . 0.0 112.715 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 14.0 m120 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.955 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 52' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.468 0.175 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.98 -36.18 83.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.401 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.63 -40.31 88.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.573 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 1.1 tpt -66.27 -33.62 76.15 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 79.2 mt -65.27 -44.2 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.633 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -34.64 68.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.212 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.02 -34.58 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.594 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 63' ' ' ILE . 1.2 p -94.19 -30.56 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 0.0 111.785 -171.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.09 89.36 0.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.401 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.677 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -80.29 -42.81 22.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.646 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.14 -19.04 44.37 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.817 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.01 10.33 75.46 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.084 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.463 HD21 ' CG ' ' A' ' 64' ' ' ASP . 32.6 p-10 -85.57 -2.66 58.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.857 0.36 . . . . 0.0 111.395 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 12.92 69.58 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.821 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 t -157.83 151.74 24.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.33 139.78 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 3.0 m-20 -114.31 -179.02 3.51 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 70.6 m-85 -54.89 -50.08 88.2 Favored Pre-proline 0 C--N 1.317 -0.829 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.08 173.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.52 -54.17 5.35 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.075 1.85 . . . . 0.0 112.981 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 36.4 mt-10 -61.91 -50.5 71.93 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HD1' HG21 ' A' ' 63' ' ' ILE . 36.7 t80 -59.91 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 -173.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 85' ' ' ILE . 4.2 mm? -69.47 -47.09 65.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.3 m -69.92 -44.51 69.48 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -67.66 -22.82 65.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.489 175.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 50.2 ttm -68.21 -68.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 170.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.18 -15.78 1.71 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.726 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.504 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 61.8 ttt180 . . . . . 0 C--N 1.33 -0.275 0 O-C-N 123.682 0.614 . . . . 0.0 110.402 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.235 0.319 0 CA-C-O 121.319 0.581 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.28 -38.98 88.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.71 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.47 -36.25 78.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.188 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.547 HG21 HD21 ' A' ' 69' ' ' LEU . 47.7 mm -64.95 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.515 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 97.9 mtt180 -65.59 -35.87 82.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.108 0.48 . . . . 0.0 110.346 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.6 mm-40 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.84 70.65 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.105 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.8 m-85 -55.78 -35.09 65.89 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.432 0.634 . . . . 0.0 110.419 173.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 75.7 ttt180 -69.97 -36.06 74.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.394 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.3 t -88.47 -26.56 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' C ' HG11 ' A' ' 108' ' ' VAL . 37.6 m-85 -86.15 15.75 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.341 0.591 . . . . 0.0 110.812 178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.877 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 49.1 t0 -130.21 145.73 51.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 78.3 mttt -70.67 -35.84 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.734 0.778 . . . . 0.0 109.337 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.48 1.94 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 112.383 -172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.41 48.85 6.99 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.631 -0.713 . . . . 0.0 114.837 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.36 3.62 10.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.573 1.186 . . . . 0.0 111.759 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.57 21.46 31.6 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.275 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -149.8 145.14 26.44 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.558 ' HB ' HG22 ' A' ' 63' ' ' ILE . 74.7 mt -110.09 102.47 14.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.229 0.538 . . . . 0.0 109.923 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.9 t -101.24 166.01 10.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.42 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.749 0.309 . . . . 0.0 110.736 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.89 -48.7 42.11 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.841 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.877 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.9 mm-40 -60.13 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.86 -48.21 82.16 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.317 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HD2' HD11 ' A' ' 48' ' ' LEU . 85.4 mtt180 -70.11 -57.38 5.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -173.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.592 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 5.3 t-80 -57.05 -35.83 69.8 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.41 0.444 . . . . 0.0 111.642 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG11 ' C ' ' A' ' 92' ' ' PHE . 2.2 p -84.43 -43.19 17.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.38 -174.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.11 -71.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -130.59 -43.05 1.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.592 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 13.1 m120 . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 111.175 -167.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 52' ' ' ILE . 41.0 mt . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.51 -39.7 81.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 109.906 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.83 -43.89 97.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.75 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.2 tpt -61.64 -32.72 72.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.414 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 48' ' ' LEU . 77.6 mt -65.93 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.464 0.65 . . . . 0.0 109.452 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -75.01 -22.77 58.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.674 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.96 -30.11 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.089 0.471 . . . . 0.0 110.677 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -79.4 -32.92 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.05 119.49 8.44 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 122.174 0.988 . . . . 0.0 111.214 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.96 -40.46 7.64 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.108 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -100.2 -19.96 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.862 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.99 76.17 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.826 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -145.54 -14.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.679 -0.76 . . . . 0.0 111.498 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 0.3 54.37 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.843 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -161.01 -177.1 5.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.788 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.62 142.9 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 165.38 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 27.4 t0 -111.82 177.16 4.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.661 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 65.4 m-85 -55.08 -55.93 33.69 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 118.521 0.6 . . . . 0.0 111.842 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.0 Cg_exo -56.04 -39.93 88.12 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.064 1.843 . . . . 0.0 112.695 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 44.0 mt-10 -63.17 -52.48 62.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.296 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HA ' HD13 ' A' ' 63' ' ' ILE . 67.9 t80 -59.99 -50.01 75.41 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.07 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -57.56 -41.32 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 27.3 m -73.73 -41.69 62.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.678 -176.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.7 mmt -75.59 -25.88 57.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttt -71.8 -68.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.85 -14.07 0.88 Allowed 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 70' ' ' THR . 29.1 tpt180 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 109.994 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.521 -0.167 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.53 -43.57 96.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.221 0.534 . . . . 0.0 110.828 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.3 -28.08 61.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.567 HG21 HD21 ' A' ' 69' ' ' LEU . 45.1 mm -71.48 -35.4 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -61.13 -36.8 80.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.288 0.566 . . . . 0.0 109.864 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 3.3 tp10 -71.49 -27.69 63.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.093 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -72.34 -44.29 62.84 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.841 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 18.0 m-85 -56.09 -32.32 64.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.089 0.471 . . . . 0.0 110.611 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 58.4 ttt180 -76.63 -36.15 57.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.827 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.5 p -86.74 -25.46 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.984 -176.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.408 ' C ' HG11 ' A' ' 108' ' ' VAL . 36.0 m-85 -91.29 15.57 11.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.002 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.758 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 48.5 t0 -130.69 143.78 50.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.104 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 107' ' ' HIS . 2.6 mtpm? -69.03 -37.4 78.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.483 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.21 2.05 13.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.995 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.543 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.39 50.03 6.76 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.96 21.47 0.32 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.775 1.288 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.75 21.48 78.54 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.191 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.482 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.7 m-85 -152.52 147.11 25.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 79.8 mt -109.97 103.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.217 0.532 . . . . 0.0 110.666 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.76 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 8.0 m -101.21 163.17 12.41 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -57.68 -53.71 55.11 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -50.64 -41.89 55.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.706 175.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.76 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 2.1 mm-40 -63.19 -46.12 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 9.7 mt -55.52 -48.3 74.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.824 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 48' ' ' LEU . 68.8 mtt180 -78.97 -53.85 6.62 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.522 -173.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -53.38 -38.17 63.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.864 -176.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 104' ' ' GLU . 7.6 p -85.36 -45.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.895 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -74.52 -60.51 2.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.532 -170.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 m -124.65 -37.39 2.49 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.851 -0.531 . . . . 0.0 112.17 -173.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -173.793 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD21 ' HD2' ' A' ' 106' ' ' ARG . 75.8 mt . . . . . 0 C--O 1.226 -0.155 0 CA-C-O 120.416 0.151 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 64.3 tp60 -68.32 -41.12 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.316 175.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -64.14 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 110.339 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.657 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.3 tpt -67.08 -31.64 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.697 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 48' ' ' LEU . 74.0 mt -63.34 -46.77 94.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.38 -24.77 66.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.789 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.6 -35.94 57.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 0.0 110.543 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -97.47 -31.05 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.289 -170.23 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -70.99 81.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.977 0.894 . . . . 0.0 112.014 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -76.16 -39.33 55.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.205 -1.361 . . . . 0.0 112.44 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -90.18 -19.52 24.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.121 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 7.04 52.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.664 -0.779 . . . . 0.0 114.588 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 ' CG ' ' A' ' 64' ' ' ASP . 20.0 p30 -80.8 -8.89 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.249 1.025 . . . . 0.0 111.587 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.51 15.71 45.79 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 t -159.23 160.31 35.2 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.684 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.1 tt -80.55 144.05 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.646 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.8 m-20 -115.28 177.96 4.46 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.2 m-85 -58.93 -51.67 80.24 Favored Pre-proline 0 C--N 1.32 -0.682 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.41 172.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 84.5 Cg_exo -50.22 -52.15 9.52 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.103 1.869 . . . . 0.0 112.671 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.646 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 58.9 mt-10 -64.01 -54.65 30.94 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.507 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 63' ' ' ILE . 57.9 t80 -60.98 -49.01 79.2 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.374 0.131 . . . . 0.0 111.095 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 69' ' ' LEU . 3.6 mm? -59.19 -42.82 91.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.4 m -75.23 -43.41 51.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.142 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.795 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 96.3 mmm -66.69 -27.96 68.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.346 0.259 . . . . 0.0 111.019 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.4 ttt -68.5 -66.65 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.68 -14.91 0.14 Allowed 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.795 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 22.5 mmt180 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 121.323 0.583 . . . . 0.0 109.692 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 7.1 mp0 -59.45 -49.52 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.56 . . . . 0.0 110.284 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.556 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.0 mm -67.76 -35.6 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.817 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 86' ' ' ARG . 32.5 ttp180 -70.87 -37.6 73.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.775 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.2 mt-10 -68.23 -29.4 68.21 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -65.48 -41.38 93.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HA ' HD11 ' A' ' 100' ' ' ILE . 10.5 m-85 -53.83 -46.69 71.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.483 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 90' ' ' ARG . 3.0 ptm180 -73.85 -26.12 60.41 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.138 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.1 t -80.12 -48.67 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HA ' HG11 ' A' ' 108' ' ' VAL . 26.2 m-85 -60.45 -40.73 92.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.917 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.9 t70 -63.43 139.48 58.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.07 0.462 . . . . 0.0 111.306 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -78.58 -34.58 46.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.676 -176.126 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -93.99 3.7 54.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.577 179.065 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.66 29.57 25.62 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-O 119.616 -0.547 . . . . 0.0 114.002 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.9 0.64 23.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.249 1.025 . . . . 0.0 112.91 -174.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.95 -22.18 42.11 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 114.392 170.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.07 159.56 15.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 117.13 0.465 . . . . 0.0 110.588 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.684 ' HB ' HG22 ' A' ' 63' ' ' ILE . 50.0 mt -112.29 102.26 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 110.543 -177.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.873 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 14.7 m -94.85 -179.9 5.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 174.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -65.73 -56.56 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -51.48 -31.77 24.76 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.141 0.496 . . . . 0.0 111.844 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.917 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.2 mm-40 -62.78 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.1 mm? -52.12 -48.31 64.87 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.074 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.689 ' HD2' HD21 ' A' ' 48' ' ' LEU . 36.6 mtt180 -69.57 -43.08 73.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.431 -173.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -49.32 -48.52 46.33 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.373 0.606 . . . . 0.0 111.37 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HA ' ' A' ' 92' ' ' PHE . 10.0 p -85.59 -35.49 9.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 -172.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.604 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.11 -73.87 0.29 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.675 -170.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 t -132.05 -14.57 3.05 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 10.9 m120 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 106' ' ' ARG . 81.9 mt . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.97 -33.82 73.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.443 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -56.15 -53.15 60.57 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.4 -30.8 70.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.243 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 48' ' ' LEU . 80.1 mt -64.18 -48.87 83.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.29 -28.74 67.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.922 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -81.57 -46.47 14.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.585 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.0 t -83.25 -31.17 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 25.7 t0 -69.77 79.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.307 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.94 67.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.34 -1.3 . . . . 0.0 113.278 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -100.82 -17.7 16.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.682 0.277 . . . . 0.0 111.653 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 96.69 4.59 59.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.352 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -79.75 -5.26 54.93 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.316 0.558 . . . . 0.0 111.338 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 90.32 9.82 64.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.269 173.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 169.42 23.4 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.228 0.537 . . . . 0.0 110.156 -172.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.1 139.77 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 169.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.563 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 51.8 t0 -111.96 177.75 4.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 75.7 m-85 -54.25 -50.87 82.28 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 118.161 0.437 . . . . 0.0 112.142 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 42.8 Cg_exo -57.9 -43.58 47.76 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.795 1.663 . . . . 0.0 112.249 175.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.8 mt-10 -62.25 -52.78 62.37 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 63' ' ' ILE . 22.3 t80 -58.24 -49.51 76.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.427 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 69' ' ' LEU . 7.9 mt -66.11 -39.1 89.67 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.651 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -71.38 -48.7 48.3 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.87 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 74' ' ' ARG . 22.9 mmt -66.56 -32.89 74.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.447 0.299 . . . . 0.0 111.7 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.9 ttm -63.38 -68.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 -15.5 9.35 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' MET . 77.4 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 110.701 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.234 0.268 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.14 -37.14 84.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.0 111.416 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.68 -35.91 81.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 21.1 mm -71.93 -33.99 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -61.82 -40.86 96.73 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 110.111 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.9 mm-40 -73.0 -26.22 61.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.676 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.484 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -69.5 -44.98 69.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 22.0 m-85 -56.43 -38.98 72.33 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.475 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -72.6 -32.96 66.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.702 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 87' ' ' GLU . 35.4 t -80.69 -48.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.544 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.739 ' HA ' HG11 ' A' ' 108' ' ' VAL . 48.3 m-85 -63.6 -42.17 98.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 110.355 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.865 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.8 t0 -65.32 142.83 58.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.03 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HB3' ' CG ' ' A' ' 107' ' ' HIS . 14.9 pttp -88.49 -25.98 22.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.77 -2.14 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.07 37.44 54.14 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.454 -0.794 . . . . 0.0 114.998 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.44 ' ND2' ' OD2' ' A' ' 93' ' ' ASP . 10.0 p30 -74.23 2.73 8.48 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.822 1.311 . . . . 0.0 111.634 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.43 22.76 33.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.533 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 52.5 m-85 -149.26 148.12 29.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 79.4 mt -113.45 105.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.23 0.538 . . . . 0.0 110.878 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.674 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -109.05 178.92 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.669 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -62.41 -54.32 41.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.736 0.303 . . . . 0.0 111.626 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.52 41.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.707 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.865 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.4 mm-40 -61.1 -48.06 83.42 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 109' ' ' MET . 12.4 mt -54.38 -49.91 68.76 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.16 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.9 mtt180 -65.67 -45.74 81.74 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.09 -175.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.622 ' CG ' ' HB3' ' A' ' 94' ' ' LYS . 17.3 t60 -49.96 -42.27 48.32 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.418 0.449 . . . . 0.0 111.67 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.739 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -85.7 -34.05 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.506 0.67 . . . . 0.0 110.52 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tpt -77.4 -74.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.384 -167.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.6 t -133.16 -10.26 2.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.639 -0.663 . . . . 0.0 112.658 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 65.9 t30 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.482 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HG3' ' A' ' 106' ' ' ARG . 3.0 mm? . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.484 0.183 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.16 -32.42 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.178 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.62 -49.95 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.0 tpt -67.21 -33.81 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.721 HG13 ' HB3' ' A' ' 102' ' ' ALA . 71.8 mt -61.84 -44.37 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.078 0 CA-C-O 121.512 0.673 . . . . 0.0 109.574 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.37 -38.12 84.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.127 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.9 -36.68 72.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.209 0.528 . . . . 0.0 111.001 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 63' ' ' ILE . 43.2 t -92.46 -30.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.683 -168.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -57.58 122.13 11.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.74 -28.45 15.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.38 -170.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -112.49 -4.12 14.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.347 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.75 73.31 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.276 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -85.39 4.1 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 -4.91 57.59 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.878 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -160.2 176.0 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.295 0.569 . . . . 0.0 110.696 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.79 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.2 mt -93.79 139.08 18.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -108.68 174.73 5.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 63.2 m-85 -53.71 -52.52 66.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.018 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 75.8 Cg_exo -52.7 -50.58 13.56 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.093 1.862 . . . . 0.0 112.615 173.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.601 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.06 -51.48 69.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 48.1 t80 -57.89 -49.17 77.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.633 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 85' ' ' ILE . 4.3 mm? -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.808 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.7 m -69.37 -45.59 68.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.591 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 93.2 mmm -71.16 -18.88 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.442 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 20.9 ttt -73.06 -68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.71 -16.98 1.11 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.517 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.591 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 15.8 tpt180 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.529 0.681 . . . . 0.0 109.38 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 45.2 mt-10 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -56.14 -51.92 66.2 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.47 -39.33 91.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.884 0.374 . . . . 0.0 110.019 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 69' ' ' LEU . 38.2 mm -65.1 -38.36 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.513 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 20.4 mmm180 -60.77 -43.87 97.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 7.6 tp10 -68.63 -31.5 70.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.204 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.2 58.46 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.671 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.0 m-85 -57.04 -30.54 64.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.159 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 57.9 ttt180 -77.02 -33.94 57.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.939 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' GLU . 77.4 t -86.72 -37.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.99 0.424 . . . . 0.0 111.572 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 108' ' ' VAL . 28.5 m-85 -79.25 14.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.464 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.907 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.9 t0 -131.68 150.11 52.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.758 ' HG2' ' HB2' ' A' ' 107' ' ' HIS . 83.1 mttt -71.64 -37.57 70.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.787 0.803 . . . . 0.0 109.627 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.09 -1.06 12.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.145 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.2 46.12 15.71 Favored Glycine 0 CA--C 1.523 0.539 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.942 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -75.69 18.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.816 1.308 . . . . 0.0 112.648 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.27 78.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.914 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' HD1' ' HA ' ' A' ' 64' ' ' ASP . 83.3 m-85 -147.59 137.98 23.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 75.8 mt -109.22 102.42 13.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.314 0.578 . . . . 0.0 110.63 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.533 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 26.5 t -110.43 166.26 11.13 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.721 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -65.37 -14.31 60.55 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 -168.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.13 -37.38 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.907 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.0 mm-40 -61.69 -38.18 86.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.797 174.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.614 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.2 mm? -54.24 -44.14 71.5 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.696 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 48' ' ' LEU . 32.4 mmt180 -59.21 -48.95 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.758 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 51.6 t-80 -49.27 -50.18 40.11 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.652 0.595 . . . . 0.0 112.417 177.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.511 ' CB ' ' HA ' ' A' ' 92' ' ' PHE . 8.7 p -84.41 -35.0 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.266 0.555 . . . . 0.0 111.357 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.614 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 4.7 tmm? -81.09 -72.68 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.102 -167.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 p -129.53 -25.93 2.57 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 62.1 t30 . . . . . 0 C--N 1.321 -0.67 0 O-C-N 122.214 -0.304 . . . . 0.0 111.057 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? . . . . . 0 C--O 1.226 -0.134 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.53 -50.42 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.181 0.446 . . . . 0.0 110.307 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.95 -34.26 77.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.285 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.3 tpp -66.42 -30.93 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.25 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 48' ' ' LEU . 84.3 mt -63.27 -44.95 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.8 -25.21 66.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.563 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.61 -41.78 13.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 111.657 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -88.6 -32.26 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -172.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.91 124.57 20.59 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.129 0.49 . . . . 0.0 109.872 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.43 -29.9 13.67 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.435 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -113.34 -13.13 12.93 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.362 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.93 20.09 63.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.997 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -79.08 -2.18 39.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.526 0.663 . . . . 0.0 111.498 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.5 2.44 61.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.138 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -159.13 178.16 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.157 0.503 . . . . 0.0 110.757 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.801 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -93.77 140.21 16.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.286 169.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.579 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.4 t70 -111.96 172.48 6.88 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.541 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 51.2 m-85 -54.03 -48.41 94.1 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 118.749 0.704 . . . . 0.0 111.672 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.9 Cg_endo -55.77 -46.28 32.8 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.333 2.022 . . . . 0.0 112.638 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.3 mt-10 -61.1 -53.66 54.29 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 -176.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 24.7 t80 -58.89 -47.55 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -176.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.6 mt -67.74 -44.75 76.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.217 -177.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -73.85 -43.39 58.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.179 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.13 -30.28 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.755 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.0 ttm -64.53 -68.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.21 -16.83 5.92 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 . . . . . 0 C--N 1.331 -0.234 0 O-C-N 123.818 0.699 . . . . 0.0 111.139 177.246 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.01 -43.11 81.5 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.27 -38.66 91.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.392 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.582 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -62.07 -40.04 85.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -61.74 -47.34 85.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.797 0.808 . . . . 0.0 109.517 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.41 -37.42 83.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.107 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -46.95 86.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.701 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 25.1 m-85 -55.07 -42.47 72.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.632 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.03 -33.42 51.07 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.86 -48.72 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.626 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.7 m-85 -60.71 -38.72 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.601 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.785 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 21.2 t0 -61.85 143.7 55.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.17 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 -44.05 53.15 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 122.043 0.925 . . . . 0.0 109.325 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -100.37 -4.68 28.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.852 -171.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 59.14 34.51 79.93 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.291 -0.868 . . . . 0.0 114.941 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -74.5 7.41 2.95 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.974 1.387 . . . . 0.0 112.349 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.53 23.61 42.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.439 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.701 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 55.3 m-85 -150.72 150.91 31.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.9 mt -111.13 102.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.247 0.546 . . . . 0.0 110.986 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.706 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.4 m -98.67 165.95 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -55.98 -48.86 75.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.708 0.289 . . . . 0.0 110.976 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.713 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.65 -46.49 63.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.834 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.785 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -60.07 -42.01 93.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.18 -47.77 84.08 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.392 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 24.8 ptt180 -56.16 -48.91 75.4 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -50.24 -54.18 22.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.699 0.624 . . . . 0.0 112.584 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 92' ' ' PHE . 12.7 p -84.85 -33.42 8.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.145 -169.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 ttp -76.43 -73.2 0.29 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.95 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -132.38 -37.75 1.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.2 m120 . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.042 HD13 ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 52' ' ' ILE . 12.3 mm100 -57.49 -26.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.944 0.338 . . . . 0.0 110.802 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 7.9 p-10 -60.17 -51.78 68.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.546 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.484 ' HB3' HD23 ' A' ' 48' ' ' LEU . 24.3 ttt -70.38 -27.28 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 102' ' ' ALA . 10.9 mt -65.23 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.917 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -76.14 -16.6 59.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 21.9 mm-40 -81.65 -15.54 54.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.297 . . . . 0.0 111.368 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -111.95 -30.63 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 11.8 p-10 -62.77 79.64 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.906 0.86 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -72.1 -32.95 67.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.2 -17.57 32.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 56' ' ' ASP . . . 79.81 10.9 85.21 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.336 -170.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.92 1.18 36.44 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 111.393 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.35 90.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.536 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -148.85 148.33 29.77 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -77.72 143.85 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.634 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 2.4 m-20 -113.63 175.55 5.41 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 85.5 m-85 -55.75 -50.46 86.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.796 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.83 -48.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.544 2.163 . . . . 0.0 113.179 174.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.634 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 61.7 mt-10 -65.0 -50.99 64.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.782 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.516 ' HD1' HG21 ' A' ' 63' ' ' ILE . 45.5 t80 -58.88 -46.26 88.26 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.4 mt -61.86 -40.83 96.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.595 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.8 m -69.72 -44.1 71.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.108 0.48 . . . . 0.0 110.832 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.98 -33.55 76.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 ttt -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 121.294 0.568 . . . . 0.0 109.537 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.89 -19.08 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.847 -173.793 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.3 tt0 . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -37.39 82.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.55 0.214 . . . . 0.0 111.139 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.3 -37.1 82.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.539 0.209 . . . . 0.0 110.927 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 47.2 mm -65.04 -38.17 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 90.5 mtt180 -66.81 -41.97 86.68 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.278 0.561 . . . . 0.0 109.851 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.22 -42.97 96.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.315 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.67 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.752 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 9.0 m-85 -58.37 -34.33 70.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.452 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -71.91 -38.84 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.993 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.708 ' O ' HG21 ' A' ' 108' ' ' VAL . 71.5 t -75.12 -45.15 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.956 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.832 ' HA ' HG11 ' A' ' 108' ' ' VAL . 54.0 m-85 -77.73 16.69 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.848 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 43.4 t0 -125.17 139.74 53.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 4.9 mtpm? -72.88 -34.38 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.55 12.69 12.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.891 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 42.35 45.44 5.31 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' ND2' ' OD2' ' A' ' 93' ' ' ASP . 7.2 p30 -78.84 5.12 12.15 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.357 1.079 . . . . 0.0 111.462 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.78 22.88 34.82 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.483 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.425 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 62.4 m-85 -150.71 144.23 25.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 109.95 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 89' ' ' PHE . 71.2 mt -109.46 103.95 16.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 -173.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.746 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 30.5 t -106.02 -178.84 3.77 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.3 -54.87 14.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 1.042 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.53 -43.67 56.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 110.979 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.848 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -57.23 -52.95 63.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.725 176.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 109' ' ' MET . 27.0 tp -59.37 -50.44 73.96 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.723 -173.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CD ' HD21 ' A' ' 48' ' ' LEU . 74.5 mtt180 -62.24 -57.01 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.649 -175.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 53.3 t-80 -50.62 -40.65 53.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.826 0.704 . . . . 0.0 111.687 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -86.72 -38.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.151 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 40.0 ttp -69.8 -73.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.559 -174.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 m -134.26 -43.46 0.78 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 11.7 m120 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.687 -166.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 106' ' ' ARG . 18.5 mt . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 120.426 0.155 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -57.06 -37.57 72.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.799 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.7 -53.58 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.525 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.6 tpt -61.72 -38.62 88.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.76 HG13 ' HB3' ' A' ' 102' ' ' ALA . 31.2 mt -57.24 -43.13 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.469 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.6 -22.34 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.417 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -79.39 -33.85 42.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.256 0.55 . . . . 0.0 110.163 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' MET . 23.2 t -91.58 -30.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.361 -176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -61.24 120.9 11.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.391 0.615 . . . . 0.0 110.078 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.67 -31.73 12.12 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.542 -171.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -107.95 -14.72 14.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.369 -174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 20.46 59.85 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.198 -1.001 . . . . 0.0 114.067 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -79.97 -1.66 40.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 111.333 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.65 63.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.459 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.0 t -159.86 178.68 9.51 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.138 0.494 . . . . 0.0 110.424 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.46 141.2 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 170.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.552 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 t70 -112.16 174.87 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 43.1 m-85 -54.68 -50.99 82.55 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 118.678 0.672 . . . . 0.0 111.261 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.2 Cg_exo -54.87 -46.35 33.96 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.981 1.787 . . . . 0.0 112.606 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 39.8 mt-10 -61.23 -53.39 57.53 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -56.25 -46.02 79.79 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.426 0.454 . . . . 0.0 111.006 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -65.03 -42.57 94.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.1 m -72.01 -44.61 63.18 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.887 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmt -64.25 -30.0 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.384 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.71 -66.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 172.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -16.26 0.98 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.89 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.139 0.495 . . . . 0.0 109.743 176.711 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 48.0 mt-10 -57.55 -43.73 84.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.304 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -65.53 -35.34 80.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 109.965 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.557 HG21 HD21 ' A' ' 69' ' ' LEU . 39.4 mm -68.66 -40.33 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.331 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 18.9 ptp180 -66.85 -35.54 80.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.604 -0.439 . . . . 0.0 109.931 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' GLU . 43.0 mt-10 -67.61 -33.66 75.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.76 85.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 18.3 m-85 -57.34 -37.01 71.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.259 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -76.13 -34.34 59.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.373 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 108' ' ' VAL . 90.9 t -86.32 -38.76 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' HA ' HG11 ' A' ' 108' ' ' VAL . 39.5 m-85 -72.28 -30.31 64.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.174 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.914 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.5 t70 -71.9 148.4 46.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.832 170.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.776 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 98.6 mttt -66.87 -44.98 79.51 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.176 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -110.53 15.29 22.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.449 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.45 39.87 15.32 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.257 -0.883 . . . . 0.0 114.975 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -77.78 21.13 0.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.754 1.277 . . . . 0.0 112.581 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.61 22.6 74.87 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.588 173.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.2 m-85 -147.32 146.29 29.65 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 76.5 mt -110.21 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.747 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 19.3 m -100.84 158.9 15.63 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -52.68 -53.35 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.266 . . . . 0.0 111.419 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -49.54 -46.21 48.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.957 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.914 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -64.34 -47.18 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 62.7 tp -55.19 -40.02 70.25 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.217 -175.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.795 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.3 mtt180 -78.58 -57.77 3.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.444 -175.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.37 -35.18 64.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.502 0.501 . . . . 0.0 111.653 -172.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' ' 92' ' ' PHE . 2.5 p -85.36 -44.29 17.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.729 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.456 ' SD ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -75.57 -75.13 0.19 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.456 HG23 ' SD ' ' A' ' 109' ' ' MET . 1.2 p -134.1 -43.85 0.79 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.506 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 6.4 t-20 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.466 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.045 HD23 ' HA ' ' A' ' 103' ' ' ALA . 16.2 tp . . . . . 0 C--O 1.233 0.187 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 52' ' ' ILE . 63.5 tt0 -52.71 -29.98 29.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.13 -44.92 90.7 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.315 0.578 . . . . 0.0 110.426 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -62.87 -34.36 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.427 176.38 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 49' ' ' GLN . 66.2 mt -64.18 -34.58 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.817 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -76.32 -22.49 54.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.76 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.93 -34.5 29.84 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.249 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.07 -30.77 18.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.07 0.462 . . . . 0.0 110.344 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.4 109.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.627 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.76 -43.78 7.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.929 -171.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -125.05 -4.98 7.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.718 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.53 77.61 1.17 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.046 -174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.8 -29.16 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.532 -0.834 . . . . 0.0 110.247 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 -2.73 80.62 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -159.18 177.34 11.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.455 -1.373 . . . . 0.0 108.786 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.578 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -96.03 146.33 7.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 9.0 t70 -110.68 175.96 5.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 84.4 m-85 -55.71 -56.86 25.27 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 112.744 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 18.9 Cg_endo -60.62 -34.38 92.36 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.755 1.637 . . . . 0.0 112.017 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.9 mt-10 -72.6 -43.34 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.664 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' HA ' HD13 ' A' ' 63' ' ' ILE . 62.0 t80 -60.05 -42.07 93.68 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.208 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -63.33 -33.35 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.322 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -80.68 -41.58 23.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.137 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG3' HD11 ' A' ' 63' ' ' ILE . 24.0 mmt -65.61 -29.38 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 174.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 36.5 ttm -66.16 -68.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.1 -13.83 1.36 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.102 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.8 tpm_? . . . . . 0 N--CA 1.452 -0.348 0 O-C-N 123.552 0.533 . . . . 0.0 109.666 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.482 ' OE2' ' HD2' ' A' ' 86' ' ' ARG . 24.7 tt0 . . . . . 0 C--O 1.223 -0.326 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 5.5 mp0 -60.2 -43.59 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.551 0.215 . . . . 0.0 111.531 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.24 -38.99 86.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.256 0.55 . . . . 0.0 109.604 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.431 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 33.9 mm -67.3 -35.84 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.656 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 29.2 mtp85 -62.4 -42.72 99.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.757 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 36.5 tt0 -69.49 -28.62 66.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 109.906 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -69.56 -42.68 74.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.809 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.634 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.7 m-85 -54.83 -35.26 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 111.42 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HD3' ' HA ' ' A' ' 87' ' ' GLU . 59.6 mtp180 -71.57 -37.73 71.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.294 177.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.4 p -86.49 -21.93 7.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -173.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.442 ' C ' HG11 ' A' ' 108' ' ' VAL . 32.0 m-85 -96.98 15.05 23.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.213 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.712 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 13.6 t70 -126.09 132.67 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.727 ' HG2' ' OE1' ' A' ' 104' ' ' GLU . 9.7 ptmm? -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 -172.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -107.41 13.39 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.713 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 48.15 36.82 16.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.157 0.823 . . . . 0.0 115.157 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.41 19.53 1.23 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.335 1.068 . . . . 0.0 113.393 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.23 23.65 62.84 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.903 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.634 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 46.0 m-85 -150.53 162.28 40.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.518 HD11 ' HA ' ' A' ' 89' ' ' PHE . 67.7 mt -122.86 104.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.17 0.509 . . . . 0.0 111.131 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.571 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 22.9 t -101.42 168.2 9.67 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -63.58 -54.78 30.6 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.143 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 1.045 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -52.79 -36.28 57.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.492 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.727 ' OE1' ' HG2' ' A' ' 94' ' ' LYS . 16.4 mm-40 -60.64 -49.92 75.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.365 174.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 10.4 mt -53.21 -44.57 68.11 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.622 -174.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -78.72 -53.43 7.15 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.165 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 79.3 m-70 -66.83 -25.95 66.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 104' ' ' GLU . 8.1 p -85.29 -47.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.469 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tmm? -69.11 -54.03 17.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.492 -172.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -128.11 -41.45 1.6 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.094 -0.379 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.2 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.566 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.2 mm? . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.12 -31.8 70.75 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.461 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -51.03 71.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.4 tpp -64.09 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.1 mt -60.79 -44.43 97.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' ' OD1' ' A' ' 56' ' ' ASP . 95.5 m-20 -71.79 -23.22 61.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.46 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.26 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.031 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.82 -33.27 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 53' ' ' ASN . 8.4 p-10 -71.87 87.0 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.533 1.158 . . . . 0.0 112.018 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -69.59 -30.47 68.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.47 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.01 -17.07 53.77 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 76.15 16.78 80.44 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.846 -170.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -88.18 0.65 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 111.526 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.469 ' H ' ' HB2' ' A' ' 56' ' ' ASP . . . 80.3 13.48 81.78 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.598 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -158.04 147.56 19.77 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.895 0.379 . . . . 0.0 110.089 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.646 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -77.85 140.84 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.676 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.545 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 2.0 m-20 -113.33 173.4 6.42 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 71.9 m-85 -52.89 -48.54 91.08 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.278 175.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.3 Cg_exo -54.4 -53.85 5.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.978 1.786 . . . . 0.0 112.831 174.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.578 ' OE1' ' HA ' ' A' ' 63' ' ' ILE . 56.5 mt-10 -60.04 -52.44 65.34 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HD1' HG21 ' A' ' 63' ' ' ILE . 47.1 t80 -59.31 -47.23 86.16 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.261 0.351 . . . . 0.0 110.482 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.8 mt -66.48 -45.18 80.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.966 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.5 m -70.42 -46.69 63.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.726 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 mmt -60.95 -28.48 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.89 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 ttm -72.97 -69.98 0.38 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.15 -15.68 2.47 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 . . . . . 0 N--CA 1.454 -0.238 0 O-C-N 123.707 0.629 . . . . 0.0 110.367 173.126 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.48 -38.02 89.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.047 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -32.31 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 41.1 mm -66.98 -35.96 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.235 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -63.17 -45.4 92.0 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.411 0.624 . . . . 0.0 110.009 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.4 mm-40 -69.24 -25.93 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.022 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.51 79.95 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.891 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.9 m-85 -57.7 -35.63 70.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.119 0.485 . . . . 0.0 111.038 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -76.22 -31.66 58.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.033 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 87' ' ' GLU . 81.8 t -83.32 -43.5 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.588 0.232 . . . . 0.0 111.219 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.892 ' HA ' HG11 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.69 16.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.0 111.314 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.926 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 53.3 t0 -132.42 142.87 49.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' HD3' ' CG ' ' A' ' 107' ' ' HIS . 15.7 pttp -87.38 -16.08 35.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 0.0 110.068 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -118.33 1.83 11.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.659 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.25 41.7 11.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.754 1.061 . . . . 0.0 115.754 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -77.35 18.59 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.772 1.286 . . . . 0.0 112.236 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.92 21.51 78.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.91 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -150.45 141.96 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.646 ' HB ' HG22 ' A' ' 63' ' ' ILE . 83.2 mt -110.58 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -173.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.535 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.8 t -108.73 171.7 7.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -57.83 -54.29 48.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.45 -46.25 56.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.649 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.926 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.3 mm-40 -61.21 -51.8 67.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.631 0.729 . . . . 0.0 109.113 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.649 ' O ' ' HB2' ' A' ' 109' ' ' MET . 63.6 tp -58.34 -43.23 88.18 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.213 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.531 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 84.5 mtt180 -77.7 -45.12 25.77 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.626 -175.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 65.9 t-80 -50.99 -37.28 43.93 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.164 0.507 . . . . 0.0 111.257 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.892 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.2 p -86.96 -40.69 14.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.899 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.649 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.12 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -168.034 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.88 -16.85 2.86 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 7.7 t30 . . . . . 0 C--N 1.327 -0.405 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -173.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 111.28 0.104 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' HD12 ' A' ' 52' ' ' ILE . 61.7 tt0 -63.59 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 110.098 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.14 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.048 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.2 tpt -58.58 -36.52 74.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.717 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 48' ' ' LEU . 62.1 mt -61.18 -46.29 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.288 0.566 . . . . 0.0 109.627 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.63 -21.71 64.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.57 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.59 -43.92 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.224 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.2 t -97.18 -31.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -167.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -67.05 123.39 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.259 0.552 . . . . 0.0 110.291 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.91 15.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.575 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -118.63 -3.03 10.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.491 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.79 32.12 73.7 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.102 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -92.31 -0.48 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.331 0.566 . . . . 0.0 111.053 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.73 -0.81 56.64 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.706 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -158.88 175.03 14.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.734 HD11 ' HG3' ' A' ' 71' ' ' MET . 0.1 OUTLIER -94.69 142.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.1 m-20 -113.0 179.38 3.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 86' ' ' ARG . 70.8 m-85 -55.75 -52.54 71.37 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.854 174.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.1 Cg_endo -52.73 -50.58 13.55 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.95 -52.23 66.31 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' ILE . 73.7 t80 -61.54 -48.84 79.2 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -58.78 -45.46 89.76 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.252 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.648 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 48.3 m -63.79 -35.3 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 111.401 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.734 ' HG3' HD11 ' A' ' 63' ' ' ILE . 97.2 mmm -51.95 -43.03 63.33 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.556 0.217 . . . . 0.0 110.934 173.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 74' ' ' ARG . 53.9 tpp -74.53 -60.81 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' A' ' 70' ' ' THR . . . -46.81 -6.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 72' ' ' MET . 32.0 mtm180 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 117.908 0.322 . . . . 0.0 111.495 -171.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 33.6 mt-10 . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 111.302 0.112 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -69.53 -40.68 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.534 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 50.3 mm -60.5 -41.65 88.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.347 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 43.3 mtm180 -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.455 0.645 . . . . 0.0 110.096 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.93 -33.01 70.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.558 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.13 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.151 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.656 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.1 m-85 -59.64 -30.82 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -76.02 -35.91 59.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.732 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.46 -47.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.526 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' HG11 ' A' ' 108' ' ' VAL . 13.5 m-85 -60.7 -44.43 96.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.953 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.98 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 12.3 t70 -68.73 148.64 50.07 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.323 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 98.4 mttt -70.66 -46.21 63.66 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.663 0.744 . . . . 0.0 110.423 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 7.8 p-10 -106.8 9.6 30.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.101 -172.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.436 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 49.09 38.82 25.67 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 114.754 -1.112 . . . . 0.0 115.069 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 3.5 p-10 -76.51 21.85 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.849 1.324 . . . . 0.0 113.187 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.03 21.39 78.44 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.423 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.656 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 65.4 m-85 -146.51 148.85 32.62 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 105' ' ' LEU . 38.5 mt -106.93 102.36 13.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.102 0.477 . . . . 0.0 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.702 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 6.6 m -97.81 -179.78 4.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 52' ' ' ILE . . . -67.21 -54.91 16.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -51.99 -32.57 34.28 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.073 0.463 . . . . 0.0 111.246 174.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.98 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.1 mm-40 -75.41 -42.93 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.502 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.36 -45.55 65.8 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.498 -179.47 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HD2' HD13 ' A' ' 48' ' ' LEU . 88.1 mtt180 -76.29 -41.09 49.94 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.691 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 94' ' ' LYS . 47.9 t60 -49.85 -45.75 50.68 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.235 0.54 . . . . 0.0 111.537 175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.4 p -84.18 -38.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.538 -177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.7 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 16.7 ttp -74.3 -73.0 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.853 -169.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -129.8 -15.08 3.95 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -175.227 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 102' ' ' ALA . 4.5 mm? . . . . . 0 CA--C 1.528 0.104 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' ILE . 50.6 tt0 -50.84 -40.46 56.0 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -47.36 85.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.708 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.7 tpt -64.22 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' GLN . 79.6 mt -62.7 -49.16 84.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.39 -19.63 64.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.023 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.44 -43.26 17.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -32.1 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -65.26 123.99 21.01 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.287 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -97.28 -33.46 11.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.195 -174.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -119.24 5.54 11.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.079 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.56 66.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.777 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -87.46 1.63 52.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.8 4.52 67.33 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.392 172.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.0 t -160.59 176.98 10.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG21 ' HD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -93.25 141.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 168.034 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.655 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.6 t0 -112.87 178.49 4.27 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.507 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.8 m-85 -57.5 -50.61 87.15 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 118.85 0.75 . . . . 0.0 111.451 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 53.1 Cg_exo -54.08 -50.3 14.08 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.241 1.961 . . . . 0.0 112.607 174.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mp0 -58.18 -52.03 67.27 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.429 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.571 ' HD1' HG21 ' A' ' 63' ' ' ILE . 34.4 t80 -57.94 -51.71 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.458 0.17 . . . . 0.0 110.787 -174.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 85' ' ' ILE . 3.5 mm? -68.67 -53.98 19.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.03 -46.32 68.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.777 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 51.0 tpp -61.83 -35.67 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.364 0.126 . . . . 0.0 111.048 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 ttp -63.44 -66.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.573 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.97 -19.16 11.31 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.5 tpm_? . . . . . 0 C--N 1.33 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.763 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.99 -46.24 82.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.357 0.598 . . . . 0.0 110.52 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.06 -40.76 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.264 -174.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 HD21 ' A' ' 69' ' ' LEU . 30.3 mm -70.21 -37.55 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.445 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -63.85 -40.94 97.78 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.492 0.663 . . . . 0.0 109.801 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.1 -32.23 73.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.212 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.68 84.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.6 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 20.1 m-85 -58.16 -30.92 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.917 175.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -77.9 -40.55 39.49 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 93' ' ' ASP . 77.5 t -82.39 -39.38 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.082 0.468 . . . . 0.0 111.48 -173.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.753 ' HA ' HG11 ' A' ' 108' ' ' VAL . 44.2 m-85 -74.43 17.24 0.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.73 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.953 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.9 t0 -131.12 149.69 52.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -80.64 -32.66 36.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 109.517 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -112.16 -1.24 15.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.071 -175.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.567 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.87 42.79 29.95 Favored Glycine 0 C--O 1.228 -0.244 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.945 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -75.8 20.86 0.17 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.79 1.295 . . . . 0.0 112.998 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.6 21.88 79.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.92 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 56.2 m-85 -148.27 141.06 24.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 76.6 mt -104.58 103.52 15.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.281 0.562 . . . . 0.0 110.305 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.674 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 7.1 m -100.63 166.81 10.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.971 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 48' ' ' LEU . . . -55.13 -54.79 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -53.0 -40.76 64.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.16 0.505 . . . . 0.0 111.853 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.953 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.3 mm-40 -63.04 -43.79 97.71 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 21.1 mt -57.75 -40.16 79.05 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.222 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 10.7 ptt180 -65.82 -47.6 74.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.965 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -54.75 -42.38 71.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.757 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.753 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -84.51 -48.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.088 0.47 . . . . 0.0 111.326 -176.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.451 ' N ' HG13 ' A' ' 108' ' ' VAL . 10.6 tpt -74.57 -72.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.625 -166.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -122.01 -36.13 3.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 111' ' ' ASN . 3.4 m120 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' ' 103' ' ' ALA . 9.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.09 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.371 0.605 . . . . 0.0 110.029 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.04 -47.73 79.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.469 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 tpp -63.98 -31.47 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 75.7 mt -65.63 -38.65 82.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -62.05 -32.58 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.136 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -71.09 -37.02 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 t -85.36 -26.98 6.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.284 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.87 74.8 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.662 0.744 . . . . 0.0 111.209 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.26 62.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.835 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -116.56 6.06 13.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -169.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.36 70.04 1.36 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 119.967 -1.111 . . . . 0.0 112.548 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -140.06 -20.08 0.89 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.489 . . . . 0.0 111.859 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.44 6.6 80.62 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -158.63 -178.42 7.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB ' ' A' ' 100' ' ' ILE . 1.6 tt -93.41 147.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.584 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 8.2 m-20 -102.65 167.58 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 39.3 m-85 -54.54 -55.71 34.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 118.654 0.661 . . . . 0.0 111.788 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 23.2 Cg_endo -61.77 -36.48 73.67 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.778 1.652 . . . . 0.0 111.678 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.584 ' HB3' ' H ' ' A' ' 64' ' ' ASP . 6.8 tt0 -62.53 -54.91 32.85 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.997 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.409 ' HD1' HD13 ' A' ' 63' ' ' ILE . 86.0 t80 -56.17 -45.61 79.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -63.94 -40.41 96.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -76.38 -43.46 40.58 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -36.53 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.751 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.7 ttp -62.41 -63.75 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.14 -15.99 4.52 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 0.0 110.476 179.365 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.65 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 20.4 tt0 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 -36.13 72.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.712 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.8 -45.62 60.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 69' ' ' LEU . 35.3 mm -67.78 -37.19 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.225 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 16.5 mtp180 -61.72 -42.72 99.32 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.141 0.496 . . . . 0.0 109.978 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.0 tt0 -73.44 -26.61 61.02 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.67 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -66.8 -44.14 82.03 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.7 m-85 -52.83 -41.09 63.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -74.91 -25.62 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.611 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 41.2 t -79.86 -44.0 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.77 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 5.3 m-85 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.424 0.63 . . . . 0.0 109.398 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.673 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 9.8 t0 -57.97 141.7 48.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.649 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 107' ' ' HIS . 97.0 mttt -76.26 -41.18 49.81 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 109.672 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -105.07 2.59 29.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.724 -170.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.28 35.88 51.35 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.848 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -75.01 -0.59 19.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.785 1.293 . . . . 0.0 111.657 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.5 22.84 27.96 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.368 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.4 m-85 -152.55 146.73 25.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.93 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.519 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 65.7 mt -108.99 101.84 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.595 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.691 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -101.71 -179.36 3.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.499 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -62.44 -54.59 37.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.803 0.274 . . . . 0.0 111.337 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -48.35 -44.91 34.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.099 0.476 . . . . 0.0 111.27 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.691 ' HG3' ' H ' ' A' ' 101' ' ' SER . 4.3 mm-40 -63.94 -47.65 79.62 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.577 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.586 ' O ' ' HB2' ' A' ' 109' ' ' MET . 42.5 tp -57.21 -45.48 83.76 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.782 -174.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 6.8 mtp180 -63.61 -44.37 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.226 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.524 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 6.6 t-80 -48.26 -45.63 34.75 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.735 0.647 . . . . 0.0 112.02 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.77 ' HB ' ' HA ' ' A' ' 92' ' ' PHE . 12.1 p -85.61 -30.31 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 19.7 ttt -81.02 -73.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.228 -166.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -129.45 -20.07 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.618 -0.676 . . . . 0.0 112.043 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 55.5 t30 . . . . . 0 C--N 1.33 -0.251 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.022 HD11 ' HD2' ' A' ' 106' ' ' ARG . 2.7 mm? . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -57.3 -31.3 65.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -58.01 -57.62 12.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.23 0.538 . . . . 0.0 109.776 174.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 55' ' ' VAL . 16.2 tpt -59.58 -32.74 70.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.968 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.4 mt -64.49 -39.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.482 ' HA ' ' OD2' ' A' ' 56' ' ' ASP . 4.1 m-20 -74.42 -19.59 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.659 -178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -82.57 -32.09 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 51' ' ' MET . 79.8 t -84.93 -33.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 53' ' ' ASN . 2.7 p30 -61.65 131.88 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 110.978 177.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.1 -29.08 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.735 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -122.05 -0.73 9.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.489 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.72 25.78 48.65 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.669 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -76.99 -6.75 53.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.657 1.229 . . . . 0.0 111.809 171.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.28 -1.21 86.04 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.918 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -144.56 159.57 42.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -88.03 142.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 171.149 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.578 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.9 t70 -110.07 173.13 6.47 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 97.4 m-85 -50.61 -55.45 26.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.483 0.583 . . . . 0.0 112.336 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 34.8 Cg_exo -60.06 -38.64 76.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.919 1.746 . . . . 0.0 112.749 177.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.578 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 46.8 mt-10 -68.33 -42.88 78.66 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.837 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.673 ' HA ' HD13 ' A' ' 63' ' ' ILE . 77.6 t80 -56.36 -49.01 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.743 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 69' ' ' LEU . 4.1 mm? -64.06 -34.66 78.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.014 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -76.97 -45.08 28.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.417 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.725 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 21.3 mmt -63.17 -37.49 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.322 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 tpt -64.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -14.62 0.26 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 12.5 mmm180 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.177 0.513 . . . . 0.0 110.408 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 43.8 tt0 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.43 -38.89 88.41 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.55 -38.69 91.88 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 51.0 mm -60.61 -40.37 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.095 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.643 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 47.4 mtt180 -61.85 -42.63 99.27 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.3 tt0 -73.1 -27.93 61.99 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.484 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.945 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.728 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 7.9 m-85 -59.81 -29.68 68.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.775 174.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 90' ' ' ARG . 39.2 ttt180 -75.55 -34.38 60.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.068 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.8 t -82.1 -40.86 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.53 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.737 ' HA ' HG21 ' A' ' 108' ' ' VAL . 56.8 m-85 -77.9 17.08 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.496 . . . . 0.0 111.597 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 47.6 t0 -129.98 144.32 51.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -77.66 -26.7 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.414 0.626 . . . . 0.0 109.88 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -116.14 0.65 13.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.827 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.4 45.81 16.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -77.03 16.59 0.53 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.834 1.317 . . . . 0.0 112.175 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.1 66.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.885 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.728 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 63.4 m-85 -148.75 145.09 27.46 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 86.5 mt -110.08 100.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.598 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 23.1 t -99.51 163.21 12.6 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -53.63 -53.96 44.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.725 0.297 . . . . 0.0 111.029 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.603 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . . . -50.34 -49.12 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.111 175.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.884 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -58.65 -50.33 74.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.3 0.571 . . . . 0.0 109.683 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.766 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.5 tt -58.57 -48.09 82.06 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.914 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 1.022 ' HD2' HD11 ' A' ' 48' ' ' LEU . 50.8 mtt180 -74.22 -29.82 61.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.665 -174.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 41.8 m80 -80.24 -24.39 40.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.604 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.737 HG21 ' HA ' ' A' ' 92' ' ' PHE . 33.8 m -88.02 -25.58 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.833 0.825 . . . . 0.0 108.943 171.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.766 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 18.1 ttt -77.02 -73.31 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.748 -175.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 -26.68 2.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.077 0.465 . . . . 0.0 111.637 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.729 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.3 m120 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.4 mm? . . . . . 0 CA--C 1.523 -0.092 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 52' ' ' ILE . 87.0 mt-30 -61.08 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.348 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.81 -48.9 79.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.218 0.532 . . . . 0.0 109.909 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt -61.1 -32.42 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.421 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 102' ' ' ALA . 79.3 mt -65.25 -45.92 92.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.968 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -66.88 -33.19 75.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.124 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.15 -42.86 18.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 111.351 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -78.0 -32.92 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.701 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 24.8 t0 -59.22 128.94 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.701 0.763 . . . . 0.0 111.423 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.92 -38.84 8.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.388 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -96.57 -17.04 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.614 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.6 20.37 64.07 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.996 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -81.26 -6.1 58.5 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 117.527 0.664 . . . . 0.0 111.632 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 7.26 55.86 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.526 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -159.64 170.07 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.515 . . . . 0.0 110.645 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -87.48 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.635 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.9 t70 -112.84 178.66 4.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 73.5 m-85 -55.75 -52.43 72.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 118.48 0.582 . . . . 0.0 111.448 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 11.7 Cg_endo -55.9 -44.4 47.76 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.056 1.837 . . . . 0.0 112.581 176.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.7 mt-10 -64.38 -53.17 52.79 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.477 ' HD1' HG21 ' A' ' 63' ' ' ILE . 44.0 t80 -58.17 -47.38 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.96 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -64.69 -45.03 88.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 88.1 m -65.82 -48.02 73.09 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.036 -175.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -32.86 74.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.007 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.2 tpp -74.23 -69.31 0.46 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.387 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -15.36 2.86 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 70' ' ' THR . 33.8 ttt180 . . . . . 0 C--O 1.231 0.111 0 O-C-N 123.57 0.544 . . . . 0.0 110.586 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.4 tt0 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 16.7 mm-40 -52.61 -46.21 66.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 111.029 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -39.76 93.8 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.919 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 69' ' ' LEU . 47.9 mm -62.0 -39.61 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.921 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 80.2 mtp180 -62.04 -45.23 94.48 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.466 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.95 -27.5 67.51 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.56 69.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 20.6 m-85 -55.79 -35.89 66.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.591 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -64.61 -48.89 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.401 HG12 HG21 ' A' ' 108' ' ' VAL . 99.5 t -86.35 -33.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.871 -168.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.837 ' HA ' HG11 ' A' ' 108' ' ' VAL . 45.2 m-85 -83.3 14.8 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 111.193 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 1.044 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 14.9 t70 -127.06 148.4 50.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 99.5 mttt -63.2 -46.49 86.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.469 0.652 . . . . 0.0 110.512 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 13.1 p-10 -111.93 16.91 20.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.093 -172.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.51 37.42 3.63 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 4.1 p-10 -76.57 22.4 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.0 21.94 75.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.149 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -149.82 152.06 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 73.9 mt -115.51 112.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.052 0.454 . . . . 0.0 110.666 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.775 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.6 t -110.99 174.74 5.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.85 -54.19 17.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.587 0.232 . . . . 0.0 111.609 -175.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.41 30.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.263 0.554 . . . . 0.0 111.432 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 1.044 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -69.56 -39.27 77.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.007 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 47.1 mt -59.07 -46.63 87.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.898 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -66.61 -39.91 88.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.944 -177.307 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 104' ' ' GLU . 7.5 t-80 -48.82 -51.91 26.96 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.823 0.702 . . . . 0.0 111.992 173.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.837 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.6 p -86.95 -40.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.526 -172.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -71.15 -69.57 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.768 -168.402 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -131.0 -40.14 1.18 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.816 ' HB2' ' HG3' ' A' ' 106' ' ' ARG . 16.2 m120 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.385 0.612 . . . . 0.0 111.708 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD12 ' HB1' ' A' ' 102' ' ' ALA . 3.5 mm? . . . . . 0 N--CA 1.46 0.068 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 52' ' ' ILE . 53.4 tt0 -58.2 -35.24 71.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.155 0.502 . . . . 0.0 109.713 174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.11 -50.96 69.6 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.745 0.784 . . . . 0.0 109.67 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 tpp -63.73 -30.71 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.724 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 49' ' ' GLN . 75.7 mt -63.71 -43.55 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -69.15 -22.42 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.488 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -89.92 -27.76 19.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.2 -32.81 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -56.63 115.57 2.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 122.035 0.921 . . . . 0.0 111.593 179.093 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.649 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -99.33 -44.21 6.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.253 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.99 -17.07 28.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 87.04 17.6 59.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.728 -0.669 . . . . 0.0 113.63 175.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -89.17 4.58 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.346 0.573 . . . . 0.0 111.125 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.67 1.11 89.21 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.63 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' TYR . 12.7 t -142.6 156.62 45.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.946 0.403 . . . . 0.0 110.432 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.617 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -80.04 141.31 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.302 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.7 m-20 -112.52 172.2 7.06 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -176.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 95.8 m-85 -52.47 -51.26 74.58 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 118.322 0.51 . . . . 0.0 110.906 175.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 77.5 Cg_exo -52.98 -48.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.362 2.042 . . . . 0.0 112.897 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 49.8 mt-10 -65.92 -53.14 43.18 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' HD1' HG21 ' A' ' 63' ' ' ILE . 39.9 t80 -60.07 -44.99 94.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.396 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -61.64 -41.26 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.691 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.4 m -74.51 -38.88 62.71 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.608 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.31 -37.68 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.0 ttm -71.48 -68.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.107 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.28 -15.73 0.68 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.018 0.437 . . . . 0.0 110.711 177.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.8 -35.31 76.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.169 0.509 . . . . 0.0 110.717 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.01 -50.44 55.49 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.403 0.62 . . . . 0.0 109.483 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.571 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 30.8 mm -61.31 -34.91 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.08 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 71.2 ttt180 -60.75 -42.4 97.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.575 176.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.3 tt0 -69.3 -32.73 72.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.561 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.74 90.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.906 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.8 m-85 -56.75 -36.75 70.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -78.08 -25.74 47.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.959 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 87' ' ' GLU . 89.6 t -83.24 -38.95 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.914 0.388 . . . . 0.0 111.429 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.75 ' HA ' HG21 ' A' ' 108' ' ' VAL . 57.5 m-85 -79.16 15.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.497 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 37.3 t0 -125.46 144.83 50.35 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.855 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -73.41 -41.48 63.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.527 0.679 . . . . 0.0 110.599 175.234 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.68 0.6 24.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.676 -171.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.98 36.92 35.2 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.24 1.62 13.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.251 1.025 . . . . 0.0 112.218 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.96 42.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.486 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 62.6 m-85 -149.49 142.71 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.617 ' HB ' HG22 ' A' ' 63' ' ' ILE . 82.8 mt -110.26 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.367 0.603 . . . . 0.0 110.302 -173.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.773 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 12.7 m -101.64 176.5 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 48' ' ' LEU . . . -64.42 -54.2 36.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.8 -41.51 61.77 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.855 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 4.4 mm-40 -57.07 -46.56 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.341 0.591 . . . . 0.0 109.419 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.13 -51.37 68.15 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.034 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 26.6 ptt180 -58.58 -34.58 71.25 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -175.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -74.47 -41.56 60.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.339 0.59 . . . . 0.0 110.178 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 92' ' ' PHE . 17.5 m -86.52 -30.83 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.993 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.32 -74.71 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.73 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -132.33 -39.59 1.03 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.733 0.697 . . . . 0.0 112.549 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.7 m120 . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 52' ' ' ILE . 8.1 mp . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 52' ' ' ILE . 34.7 tt0 -51.82 -36.83 49.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.515 0.198 . . . . 0.0 111.358 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.63 -48.18 82.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.185 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.5 tpp -58.31 -36.55 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.444 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.717 HG12 ' HB3' ' A' ' 102' ' ' ALA . 55.8 mt -60.71 -40.16 83.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.006 0.432 . . . . 0.0 109.838 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -76.17 -24.77 54.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.154 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -46.43 12.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 -177.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.14 -31.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.036 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 16.1 t0 -61.96 127.28 30.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.68 -30.37 12.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.445 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -106.95 -15.83 14.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.022 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.31 71.46 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.63 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.63 -3.04 45.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.358 0.579 . . . . 0.0 111.247 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.51 3.22 58.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.638 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.6 t -160.8 177.44 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.975 0.417 . . . . 0.0 110.312 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.37 138.85 19.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 167.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 8.0 t0 -110.89 176.04 5.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 76.8 m-85 -53.24 -51.8 71.98 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 118.602 0.637 . . . . 0.0 111.512 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.0 Cg_endo -56.72 -47.85 21.52 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.139 1.893 . . . . 0.0 112.38 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.2 mt-10 -61.5 -49.3 77.29 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.337 -178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 57.0 t80 -59.03 -51.13 71.4 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.921 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -62.78 -43.63 98.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -68.76 -43.24 76.21 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.679 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -70.33 -28.86 65.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.968 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpt -74.47 -68.92 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -14.54 0.58 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 123.562 0.539 . . . . 0.0 110.317 175.017 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 32.1 tt0 . . . . . 0 C--O 1.223 -0.324 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.72 93.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.109 0.413 . . . . 0.0 111.13 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -69.45 -38.78 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.626 0.727 . . . . 0.0 109.308 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 69' ' ' LEU . 47.3 mm -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.25 176.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.2 mtp180 -63.9 -36.17 83.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.75 -41.82 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.232 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -68.91 -42.62 76.6 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.176 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' HA ' HD11 ' A' ' 100' ' ' ILE . 7.1 m-85 -54.08 -32.99 56.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.724 0.297 . . . . 0.0 111.607 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.53 -36.67 52.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.439 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 88' ' ' ALA . 1.1 p -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' HA ' HG11 ' A' ' 108' ' ' VAL . 27.0 m-85 -85.35 13.25 6.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.244 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 1.017 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.8 t70 -134.11 151.08 51.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -73.13 -41.94 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.54 0.685 . . . . 0.0 110.242 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -3.25 44.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.94 -173.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.96 7.48 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.184 -0.462 . . . . 0.0 113.547 -171.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.76 23.01 0.17 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.23 21.29 79.84 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.02 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -147.92 147.78 30.09 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 70.7 mt -111.96 103.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.212 0.529 . . . . 0.0 110.375 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.663 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 3.7 m -95.18 164.17 12.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.17 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.717 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -58.32 -54.42 47.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -53.46 -25.86 17.98 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 1.017 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -74.24 -35.34 63.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.819 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 102' ' ' ALA . 2.0 mm? -55.84 -42.61 76.01 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 5.8 ptt180 -72.73 -36.82 67.84 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.856 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -53.91 -49.71 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.618 173.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 92' ' ' PHE . 6.0 p -85.71 -50.56 14.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.432 ' N ' HG13 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -68.01 -72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.828 -163.162 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -40.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -177.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.535 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 6.5 m-20 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD21 ' HD3' ' A' ' 106' ' ' ARG . 42.1 mt . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.81 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.32 -53.39 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.589 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.33 -39.83 89.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.251 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.75 HG13 ' HB3' ' A' ' 102' ' ' ALA . 54.7 mt -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.1 0.476 . . . . 0.0 110.125 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.09 -24.65 59.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.438 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -81.5 -38.77 25.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.2 t -77.14 -30.3 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -55.69 107.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -97.66 -46.45 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.949 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -120.38 -3.18 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.295 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.95 78.88 1.21 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.206 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' THR . 7.0 m120 -127.93 -24.68 3.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.317 -0.942 . . . . 0.0 110.552 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 4.77 58.24 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 99' ' ' TYR . 94.7 m -158.08 169.58 24.21 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.034 -1.583 . . . . 0.0 107.814 -169.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.637 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.8 tt -90.5 144.69 8.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 171.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.6 t0 -111.41 171.05 7.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.823 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 86.0 m-85 -54.01 -53.06 62.49 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 118.642 0.655 . . . . 0.0 112.04 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.7 Cg_endo -57.97 -42.82 54.34 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.047 1.832 . . . . 0.0 112.228 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.874 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 6.1 mt-10 -70.89 -41.3 71.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.583 ' HD1' HG21 ' A' ' 63' ' ' ILE . 60.4 t80 -58.91 -47.51 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.207 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.5 mt -68.37 -37.1 80.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.878 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -74.51 -43.35 56.31 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.35 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 mmt -59.19 -34.66 72.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.0 ttm -69.67 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.927 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.56 -15.42 1.75 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 . . . . . 0 C--O 1.233 0.197 0 O-C-N 123.844 0.715 . . . . 0.0 110.501 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 30.9 tt0 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.638 0.256 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.38 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.05 -34.71 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.641 175.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.47 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.6 mm -63.22 -38.31 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.614 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.823 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 80.9 mtt180 -65.31 -40.65 94.05 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.8 0.81 . . . . 0.0 110.027 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . 39.1 tt0 -68.21 -31.59 71.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.584 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.58 82.76 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.108 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.612 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.1 m-85 -56.97 -35.01 68.65 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -74.6 -30.84 61.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.8 t -82.67 -44.69 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.539 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.438 ' C ' HG21 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.3 18.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.9 0.48 . . . . 0.0 112.175 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.979 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 38.4 t0 -123.65 142.49 51.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.797 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 96.1 mttt -65.32 -44.3 88.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.865 0.841 . . . . 0.0 109.83 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.74 -0.1 25.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.585 -173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.91 44.61 31.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 115.209 0.844 . . . . 0.0 115.209 -175.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -76.41 15.48 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.714 1.257 . . . . 0.0 112.397 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 22.81 57.27 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.04 174.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.612 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.5 m-85 -154.24 154.32 33.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -176.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.637 ' HB ' HG22 ' A' ' 63' ' ' ILE . 65.1 mt -116.78 102.1 13.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 0.0 111.2 -176.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.731 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 2.0 m -92.46 159.38 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 175.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -53.03 -50.93 63.27 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.106 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.85 -50.45 56.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.854 175.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.979 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.0 mm-40 -58.85 -47.94 83.11 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.917 0.865 . . . . 0.0 109.372 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.22 -42.9 92.11 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.054 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.866 ' HG3' ' HB3' ' A' ' 111' ' ' ASN . 2.9 ptt180 -67.51 -41.87 83.73 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.21 -175.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.564 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 33.5 t-80 -50.66 -46.12 58.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.337 0.589 . . . . 0.0 111.6 173.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 2.4 t -88.11 -43.52 15.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.473 0.654 . . . . 0.0 111.869 -174.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -71.3 0.25 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.201 -170.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 t -124.35 -40.14 2.27 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.866 ' HB3' ' HG3' ' A' ' 106' ' ' ARG . 9.4 t-20 . . . . . 0 CA--C 1.537 0.471 0 O-C-N 122.538 -0.101 . . . . 0.0 110.864 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.845 0.355 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.71 115.49 16.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 52' ' ' ILE . 83.3 mt -71.56 0.78 7.73 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 111.223 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 52' ' ' ILE . 59.0 tt0 -59.84 -34.86 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.09 -35.03 76.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.244 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.6 tpp -68.48 -35.73 77.94 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 70.3 mt -60.51 -37.8 76.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -75.07 -26.05 59.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.588 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.57 -25.67 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -86.37 -31.91 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.196 0.522 . . . . 0.0 110.201 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.579 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 29.0 t70 -55.61 114.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.221 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.52 -38.3 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.561 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -116.03 -11.39 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.87 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 102.14 8.91 43.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.375 -0.917 . . . . 0.0 114.999 176.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -80.16 -5.8 56.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.339 1.07 . . . . 0.0 110.923 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.87 -0.42 82.6 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.813 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -143.56 155.14 44.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.5 140.63 16.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.142 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.639 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 9.3 t0 -111.12 175.36 5.45 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 177.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 85.1 m-85 -55.29 -51.37 80.4 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 118.61 0.641 . . . . 0.0 111.657 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 48.6 Cg_exo -57.79 -44.04 44.26 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.11 1.873 . . . . 0.0 112.188 176.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.639 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.6 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.338 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 66.8 t80 -56.59 -45.97 81.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.25 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -66.43 -38.76 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.899 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -74.72 -45.98 40.54 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.161 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.91 0.385 . . . . 0.0 110.926 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.76 -69.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.911 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.677 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -55.2 -13.8 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -39.29 -50.43 2.0 Allowed 'General case' 0 C--N 1.334 -0.107 0 O-C-N 123.811 0.694 . . . . 0.0 110.868 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -129.62 -35.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.344 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.1 ptm -111.16 115.15 28.91 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.677 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 18.3 tptp -107.73 117.97 35.5 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.145 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -110.11 -123.91 0.27 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.11 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.7 m -80.45 135.1 36.08 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.697 0.399 . . . . 0.0 111.329 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 9.2 p-10 -127.73 75.6 1.61 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 122.235 1.016 . . . . 0.0 110.764 169.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 85' ' ' ILE . 42.7 t -121.6 122.75 40.34 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.06 -33.55 70.92 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.381 -170.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 27.5 mt-10 -55.88 -54.19 47.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.999 173.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.63 -40.97 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.591 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 39.3 mm -64.98 -39.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.729 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 21.3 ttm180 -67.22 -39.67 86.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.1 mm-40 -59.01 -40.82 86.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.736 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -60.36 -43.55 96.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.856 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.593 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 15.6 m-85 -55.86 -44.93 78.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -76.17 -24.3 54.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.279 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.471 HG12 HG21 ' A' ' 108' ' ' VAL . 30.6 t -78.03 -49.99 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.642 ' HA ' HG11 ' A' ' 108' ' ' VAL . 12.0 m-85 -62.77 -48.66 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.688 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.895 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.2 t70 -64.26 149.2 48.52 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.522 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.512 ' HE2' ' CA ' ' A' ' 113' ' ' GLY . 99.3 mttt -71.31 -40.07 71.04 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.195 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.17 1.73 42.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.492 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.09 32.99 13.24 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.899 -0.591 . . . . 0.0 113.942 -171.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.06 19.94 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 117.988 0.894 . . . . 0.0 113.194 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.4 22.6 64.6 Favored Glycine 0 C--O 1.228 -0.236 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.229 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 93' ' ' ASP . 55.0 m-85 -148.5 153.36 38.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.653 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.0 mt -118.17 107.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.929 0.395 . . . . 0.0 110.471 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 21.9 t -104.24 173.69 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.213 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 105' ' ' LEU . . . -63.88 -53.35 51.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.663 0.268 . . . . 0.0 111.344 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.41 -39.68 57.75 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.967 0.413 . . . . 0.0 111.669 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.895 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.0 mm-40 -66.94 -39.23 87.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.001 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 109' ' ' MET . 21.0 mt -52.82 -44.78 66.93 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.776 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 49.8 mtt180 -71.19 -36.71 72.03 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.463 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.975 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 22.3 t60 -49.29 -52.83 25.16 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.357 0.599 . . . . 0.0 111.555 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.7 p -86.89 -38.73 12.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.22 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.683 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.0 ttt -71.31 -71.69 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.402 -169.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -128.13 -34.07 2.14 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 5.6 t-20 -98.98 -174.75 2.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -170.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.17 129.01 47.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.975 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.441 -0.973 0 CA-C-O 117.608 -1.662 . . . . 0.0 111.674 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.85 0.357 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.51 136.09 35.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.095 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 103' ' ' ALA . 3.1 mm? -61.8 -40.8 96.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.897 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 110.291 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.5 -48.75 79.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.626 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.48 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 12.6 tpt -67.79 -31.96 72.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.668 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.608 HG13 ' HB3' ' A' ' 102' ' ' ALA . 70.6 mt -62.68 -46.07 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.52 -31.02 71.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.994 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -81.48 -31.39 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.84 -31.16 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.48 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 28.2 t0 -60.36 87.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.624 0.726 . . . . 0.0 112.247 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.41 -40.53 50.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.782 -1.099 . . . . 0.0 113.057 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 39.1 m-20 -89.66 -18.55 26.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.206 -177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 93.37 3.4 65.01 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.369 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.569 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 5.6 p-10 -77.21 -0.21 24.28 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.85 84.42 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.039 -0.601 . . . . 0.0 113.363 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 60' ' ' ASN . 5.5 t -159.65 163.79 34.61 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -82.01 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.287 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.664 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 0.8 OUTLIER -111.53 175.58 5.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 81.7 m-85 -53.54 -51.29 77.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 52.5 Cg_exo -58.25 -41.58 65.19 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.735 1.623 . . . . 0.0 112.38 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.689 ' HB3' HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.92 -54.21 45.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HA ' HD13 ' A' ' 63' ' ' ILE . 51.7 t80 -57.62 -45.05 85.86 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.91 -176.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.561 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -76.06 -42.08 48.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.872 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -64.17 -31.4 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.309 175.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 ttt -69.93 -67.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.648 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -52.82 -15.31 0.71 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -45.21 -50.88 11.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 175.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -48.78 2.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.227 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 72' ' ' MET . 24.7 mmt -107.04 111.25 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.286 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.648 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 13.5 tptp -112.64 115.52 28.71 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.462 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.79 -74.03 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -120.08 128.87 53.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.129 -178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -126.75 77.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.239 1.019 . . . . 0.0 110.436 170.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.508 ' O ' HG12 ' A' ' 85' ' ' ILE . 31.7 t -114.56 119.4 36.67 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 170.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.12 -36.34 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.278 -170.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 6.6 pt-20 -64.29 -46.68 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 15.6 tp10 -68.88 -39.12 79.96 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.9 mm -67.32 -39.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 7.4 tmm_? -63.98 -41.42 97.53 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.249 0.547 . . . . 0.0 109.783 176.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -67.32 -33.4 75.19 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.582 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.427 ' O ' ' HD2' ' A' ' 92' ' ' PHE . . . -65.63 -40.46 92.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 175.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 100' ' ' ILE . 8.5 m-85 -55.28 -41.15 71.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 68.6 mtp180 -73.06 -29.95 63.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.337 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.9 t -78.83 -49.52 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.491 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' HA ' HG11 ' A' ' 108' ' ' VAL . 55.8 m-85 -63.04 -44.31 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 0.0 110.784 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.876 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.6 t0 -65.24 142.49 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.545 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -87.74 -31.28 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.389 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.63 -4.97 23.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.615 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 53.56 38.36 58.18 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.004 -0.998 . . . . 0.0 115.126 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.506 HD21 ' HB2' ' A' ' 99' ' ' TYR . 3.3 p-10 -73.53 -1.91 20.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.937 1.369 . . . . 0.0 112.033 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.22 22.28 27.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.614 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.506 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.6 m-85 -151.07 143.62 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.664 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 69.3 mt -108.25 103.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.542 0.687 . . . . 0.0 111.122 -171.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.748 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 15.1 m -103.17 176.36 5.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.496 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -60.59 -54.43 45.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -49.91 -42.29 47.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.876 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -62.09 -46.46 88.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' ' HB2' ' A' ' 109' ' ' MET . 43.7 mt -61.36 -51.38 69.04 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.071 -176.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.699 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 9.7 mtp85 -69.26 -22.37 63.84 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.935 -176.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.586 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 48.0 t-80 -73.93 -38.93 64.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.52 0.676 . . . . 0.0 109.822 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -87.71 -32.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.466 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.618 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.8 tmm? -81.02 -74.89 0.3 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.692 -166.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' SD ' ' A' ' 109' ' ' MET . 9.8 p -132.0 -28.57 1.74 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.355 0.98 . . . . 0.0 112.715 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 14.0 m120 -85.1 -165.98 1.37 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.955 -171.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 95.2 mt -41.54 114.26 0.5 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.021 0.826 . . . . 0.0 112.336 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.367 -1.241 . . . . 0.0 111.497 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.664 'CA ' ' OD2' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.602 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 9.0 tp10 -90.54 112.38 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.454 0.645 . . . . 0.0 110.775 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 52' ' ' ILE . 2.3 mm? -77.77 -27.29 50.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.053 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.98 -36.18 83.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.401 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 16.7 t70 -66.63 -40.31 88.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.573 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 1.1 tpt -66.27 -33.62 76.15 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 79.2 mt -65.27 -44.2 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.633 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -34.64 68.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.212 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.02 -34.58 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.594 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 63' ' ' ILE . 1.2 p -94.19 -30.56 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 0.0 111.785 -171.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.09 89.36 0.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.401 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.677 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -80.29 -42.81 22.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.646 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.14 -19.04 44.37 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.817 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.01 10.33 75.46 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.084 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.463 HD21 ' CG ' ' A' ' 64' ' ' ASP . 32.6 p-10 -85.57 -2.66 58.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.857 0.36 . . . . 0.0 111.395 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 12.92 69.58 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.821 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 t -157.83 151.74 24.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.33 139.78 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 3.0 m-20 -114.31 -179.02 3.51 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 70.6 m-85 -54.89 -50.08 88.2 Favored Pre-proline 0 C--N 1.317 -0.829 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.08 173.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.52 -54.17 5.35 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.075 1.85 . . . . 0.0 112.981 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 36.4 mt-10 -61.91 -50.5 71.93 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HD1' HG21 ' A' ' 63' ' ' ILE . 36.7 t80 -59.91 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 -173.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 85' ' ' ILE . 4.2 mm? -69.47 -47.09 65.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.3 m -69.92 -44.51 69.48 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -67.66 -22.82 65.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.489 175.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 76' ' ' MET . 50.2 ttm -68.21 -68.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 170.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.18 -15.78 1.71 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.726 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.504 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 61.8 ttt180 -42.3 -51.47 4.8 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.682 0.614 . . . . 0.0 110.402 174.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 75' ' ' LYS . 42.6 mtpt -131.35 -47.85 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.563 173.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.45 ' O ' ' HG2' ' A' ' 72' ' ' MET . 19.0 ttt -107.62 117.47 34.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.783 -169.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.691 ' HE2' ' OG1' ' A' ' 79' ' ' THR . 16.8 tptm -106.15 117.31 33.7 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.907 176.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -155.91 76.15 0.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.691 ' OG1' ' HE2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -107.47 172.74 6.66 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.246 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -121.91 -176.17 3.27 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.513 158.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.2 m -53.01 148.91 7.17 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 123.574 0.546 . . . . 0.0 111.559 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -48.9 -44.1 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.319 0.581 . . . . 0.0 110.864 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.28 -38.98 88.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.71 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.47 -36.25 78.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.188 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 79' ' ' THR . 47.7 mm -64.95 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.515 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 97.9 mtt180 -65.59 -35.87 82.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.108 0.48 . . . . 0.0 110.346 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.6 mm-40 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.84 70.65 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.105 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.8 m-85 -55.78 -35.09 65.89 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.432 0.634 . . . . 0.0 110.419 173.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 75.7 ttt180 -69.97 -36.06 74.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.394 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.3 t -88.47 -26.56 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' C ' HG11 ' A' ' 108' ' ' VAL . 37.6 m-85 -86.15 15.75 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.341 0.591 . . . . 0.0 110.812 178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.877 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 49.1 t0 -130.21 145.73 51.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 78.3 mttt -70.67 -35.84 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.734 0.778 . . . . 0.0 109.337 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.48 1.94 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 112.383 -172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.41 48.85 6.99 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.631 -0.713 . . . . 0.0 114.837 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.7 p-10 -76.36 3.62 10.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.573 1.186 . . . . 0.0 111.759 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.57 21.46 31.6 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.275 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 97' ' ' ASN . 64.7 m-85 -149.8 145.14 26.44 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.558 ' HB ' HG22 ' A' ' 63' ' ' ILE . 74.7 mt -110.09 102.47 14.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.229 0.538 . . . . 0.0 109.923 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.9 t -101.24 166.01 10.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.42 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.749 0.309 . . . . 0.0 110.736 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.89 -48.7 42.11 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.841 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.877 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.9 mm-40 -60.13 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.86 -48.21 82.16 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.317 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HD2' HD11 ' A' ' 48' ' ' LEU . 85.4 mtt180 -70.11 -57.38 5.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -173.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.592 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 5.3 t-80 -57.05 -35.83 69.8 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.41 0.444 . . . . 0.0 111.642 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG11 ' C ' ' A' ' 92' ' ' PHE . 2.2 p -84.43 -43.19 17.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.38 -174.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.11 -71.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -130.59 -43.05 1.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.592 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 13.1 m120 -115.51 -169.46 1.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 111.175 -167.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.45 133.81 36.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 169.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.443 -0.853 0 CA-C-O 117.785 -1.564 . . . . 0.0 110.614 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.635 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.697 0.284 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -77.07 133.56 39.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.446 . . . . 0.0 110.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 52' ' ' ILE . 41.0 mt -63.33 -39.14 93.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.641 -173.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.51 -39.7 81.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 109.906 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.83 -43.89 97.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.75 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.2 tpt -61.64 -32.72 72.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.414 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 48' ' ' LEU . 77.6 mt -65.93 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.464 0.65 . . . . 0.0 109.452 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -75.01 -22.77 58.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.674 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.96 -30.11 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.089 0.471 . . . . 0.0 110.677 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -79.4 -32.92 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.05 119.49 8.44 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 122.174 0.988 . . . . 0.0 111.214 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.96 -40.46 7.64 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.108 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -100.2 -19.96 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.862 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.99 76.17 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.826 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -145.54 -14.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.679 -0.76 . . . . 0.0 111.498 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 0.3 54.37 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.843 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -161.01 -177.1 5.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.788 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.62 142.9 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 165.38 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 27.4 t0 -111.82 177.16 4.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.661 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 65.4 m-85 -55.08 -55.93 33.69 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 118.521 0.6 . . . . 0.0 111.842 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.0 Cg_exo -56.04 -39.93 88.12 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.064 1.843 . . . . 0.0 112.695 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 44.0 mt-10 -63.17 -52.48 62.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.296 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HA ' HD13 ' A' ' 63' ' ' ILE . 67.9 t80 -59.99 -50.01 75.41 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.07 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -57.56 -41.32 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 27.3 m -73.73 -41.69 62.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.678 -176.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.7 mmt -75.59 -25.88 57.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttt -71.8 -68.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.661 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -53.85 -14.07 0.88 Allowed 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 173.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 70' ' ' THR . 29.1 tpt180 -52.27 -39.91 61.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 109.994 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -126.12 -53.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.46 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.1 ptm -109.54 115.33 29.72 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.268 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.661 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 19.0 tptm -113.29 126.06 54.98 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.052 -0.405 . . . . 0.0 110.914 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.82 -62.33 0.77 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.624 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.9 m -119.9 127.82 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.19 -0.319 . . . . 0.0 111.81 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -129.37 75.37 1.65 Allowed 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 121.696 0.76 . . . . 0.0 111.258 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.549 ' O ' HG12 ' A' ' 85' ' ' ILE . 36.5 m -124.01 119.56 29.89 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 167.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -52.64 -39.58 61.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.942 -166.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.53 -43.57 96.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.221 0.534 . . . . 0.0 110.828 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.3 -28.08 61.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.567 HG21 HD21 ' A' ' 69' ' ' LEU . 45.1 mm -71.48 -35.4 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -61.13 -36.8 80.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.288 0.566 . . . . 0.0 109.864 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 3.3 tp10 -71.49 -27.69 63.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.093 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -72.34 -44.29 62.84 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.841 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 18.0 m-85 -56.09 -32.32 64.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.089 0.471 . . . . 0.0 110.611 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 58.4 ttt180 -76.63 -36.15 57.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.827 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.5 p -86.74 -25.46 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.984 -176.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.408 ' C ' HG11 ' A' ' 108' ' ' VAL . 36.0 m-85 -91.29 15.57 11.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.002 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.758 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 48.5 t0 -130.69 143.78 50.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.104 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 107' ' ' HIS . 2.6 mtpm? -69.03 -37.4 78.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.483 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.21 2.05 13.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.995 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.543 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.39 50.03 6.76 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.96 21.47 0.32 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.775 1.288 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.75 21.48 78.54 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.191 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.482 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.7 m-85 -152.52 147.11 25.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 79.8 mt -109.97 103.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.217 0.532 . . . . 0.0 110.666 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.76 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 8.0 m -101.21 163.17 12.41 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -57.68 -53.71 55.11 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -50.64 -41.89 55.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.706 175.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.76 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 2.1 mm-40 -63.19 -46.12 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 9.7 mt -55.52 -48.3 74.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.824 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 48' ' ' LEU . 68.8 mtt180 -78.97 -53.85 6.62 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.522 -173.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -53.38 -38.17 63.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.864 -176.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 104' ' ' GLU . 7.6 p -85.36 -45.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.895 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -74.52 -60.51 2.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.532 -170.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 m -124.65 -37.39 2.49 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.851 -0.531 . . . . 0.0 112.17 -173.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.09 -174.5 3.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.08 134.43 56.43 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.832 -0.982 . . . . 0.0 112.212 178.819 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.595 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.184 0.516 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.39 143.34 28.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.323 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD21 ' HD2' ' A' ' 106' ' ' ARG . 75.8 mt -70.14 -21.07 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.218 -175.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 64.3 tp60 -68.32 -41.12 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.316 175.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -64.14 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 110.339 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.657 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.3 tpt -67.08 -31.64 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.697 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 48' ' ' LEU . 74.0 mt -63.34 -46.77 94.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -66.38 -24.77 66.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.789 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.6 -35.94 57.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 0.0 110.543 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -97.47 -31.05 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.289 -170.23 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -70.99 81.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.977 0.894 . . . . 0.0 112.014 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -76.16 -39.33 55.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.205 -1.361 . . . . 0.0 112.44 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 1.4 p-10 -90.18 -19.52 24.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.121 -175.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 7.04 52.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.664 -0.779 . . . . 0.0 114.588 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 ' CG ' ' A' ' 64' ' ' ASP . 20.0 p30 -80.8 -8.89 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.249 1.025 . . . . 0.0 111.587 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.51 15.71 45.79 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 t -159.23 160.31 35.2 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.684 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.1 tt -80.55 144.05 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.646 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.8 m-20 -115.28 177.96 4.46 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.2 m-85 -58.93 -51.67 80.24 Favored Pre-proline 0 C--N 1.32 -0.682 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.41 172.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 84.5 Cg_exo -50.22 -52.15 9.52 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.103 1.869 . . . . 0.0 112.671 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.646 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 58.9 mt-10 -64.01 -54.65 30.94 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.507 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 63' ' ' ILE . 57.9 t80 -60.98 -49.01 79.2 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.374 0.131 . . . . 0.0 111.095 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 69' ' ' LEU . 3.6 mm? -59.19 -42.82 91.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.4 m -75.23 -43.41 51.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.142 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.795 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 96.3 mmm -66.69 -27.96 68.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.346 0.259 . . . . 0.0 111.019 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 76' ' ' MET . 19.4 ttt -68.5 -66.65 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 170.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.68 -14.91 0.14 Allowed 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.795 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 22.5 mmt180 -46.49 -48.83 19.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.323 0.583 . . . . 0.0 109.692 175.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -131.65 -35.86 1.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.758 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.484 ' O ' ' HG2' ' A' ' 72' ' ' MET . 25.1 mmt -102.85 114.68 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 mmpt? -113.41 116.83 30.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 166.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.45 -87.81 0.63 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.734 0.302 . . . . 0.0 110.764 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.0 m -101.5 114.02 27.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.71 72.72 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.822 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -138.63 131.91 30.13 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 163.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.33 -33.68 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.531 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 7.1 mp0 -59.45 -49.52 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.56 . . . . 0.0 110.284 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.556 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.0 mm -67.76 -35.6 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.817 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 86' ' ' ARG . 32.5 ttp180 -70.87 -37.6 73.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.775 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.2 mt-10 -68.23 -29.4 68.21 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -65.48 -41.38 93.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HA ' HD11 ' A' ' 100' ' ' ILE . 10.5 m-85 -53.83 -46.69 71.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.483 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 90' ' ' ARG . 3.0 ptm180 -73.85 -26.12 60.41 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.138 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.1 t -80.12 -48.67 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HA ' HG11 ' A' ' 108' ' ' VAL . 26.2 m-85 -60.45 -40.73 92.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.917 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.9 t70 -63.43 139.48 58.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.07 0.462 . . . . 0.0 111.306 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -78.58 -34.58 46.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.676 -176.126 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.607 ' OD1' 'CA ' ' A' ' 300' ' ' ' CA' . 0.0 OUTLIER -93.99 3.7 54.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.577 179.065 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.66 29.57 25.62 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-O 119.616 -0.547 . . . . 0.0 114.002 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.9 0.64 23.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.249 1.025 . . . . 0.0 112.91 -174.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.95 -22.18 42.11 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 114.392 170.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.07 159.56 15.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 117.13 0.465 . . . . 0.0 110.588 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.684 ' HB ' HG22 ' A' ' 63' ' ' ILE . 50.0 mt -112.29 102.26 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 110.543 -177.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.873 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 14.7 m -94.85 -179.9 5.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 174.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -65.73 -56.56 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -51.48 -31.77 24.76 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.141 0.496 . . . . 0.0 111.844 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.917 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.2 mm-40 -62.78 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.1 mm? -52.12 -48.31 64.87 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.074 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.689 ' HD2' HD21 ' A' ' 48' ' ' LEU . 36.6 mtt180 -69.57 -43.08 73.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.431 -173.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.948 ' HB2' ' HA2' ' A' ' 113' ' ' GLY . 19.2 t60 -49.32 -48.52 46.33 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.373 0.606 . . . . 0.0 111.37 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HA ' ' A' ' 92' ' ' PHE . 10.0 p -85.59 -35.49 9.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 -172.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.604 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.11 -73.87 0.29 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.675 -170.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 t -132.05 -14.57 3.05 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 10.9 m120 -116.78 -175.2 2.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 -174.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -106.58 104.78 14.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.679 0.752 . . . . 0.0 109.834 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.948 ' HA2' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.442 -0.92 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.037 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.605 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.607 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.92 87.01 4.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 0.0 111.135 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 106' ' ' ARG . 81.9 mt -73.81 -33.2 64.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.659 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.97 -33.82 73.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.443 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -56.15 -53.15 60.57 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.4 -30.8 70.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.243 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 48' ' ' LEU . 80.1 mt -64.18 -48.87 83.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.29 -28.74 67.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.922 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -81.57 -46.47 14.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.585 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.0 t -83.25 -31.17 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 25.7 t0 -69.77 79.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.307 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.94 67.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.34 -1.3 . . . . 0.0 113.278 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -100.82 -17.7 16.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.682 0.277 . . . . 0.0 111.653 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 96.69 4.59 59.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.352 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -79.75 -5.26 54.93 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.316 0.558 . . . . 0.0 111.338 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 90.32 9.82 64.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.269 173.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 169.42 23.4 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.228 0.537 . . . . 0.0 110.156 -172.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.1 139.77 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 169.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.563 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 51.8 t0 -111.96 177.75 4.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 75.7 m-85 -54.25 -50.87 82.28 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 118.161 0.437 . . . . 0.0 112.142 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 42.8 Cg_exo -57.9 -43.58 47.76 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.795 1.663 . . . . 0.0 112.249 175.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.8 mt-10 -62.25 -52.78 62.37 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 63' ' ' ILE . 22.3 t80 -58.24 -49.51 76.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.427 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 69' ' ' LEU . 7.9 mt -66.11 -39.1 89.67 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.651 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -71.38 -48.7 48.3 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.87 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 74' ' ' ARG . 22.9 mmt -66.56 -32.89 74.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.447 0.299 . . . . 0.0 111.7 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 56.9 ttm -63.38 -68.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 -15.5 9.35 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' MET . 77.4 ttt180 -51.83 -49.96 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 110.701 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.32 -43.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.265 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtt -78.66 -176.71 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -59.18 156.51 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.977 176.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -97.78 139.33 33.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 170.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -120.24 91.79 3.62 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -82.47 95.39 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.517 ' O ' HG12 ' A' ' 85' ' ' ILE . 55.4 m -164.55 67.51 0.15 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -170.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -49.0 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.066 -166.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.14 -37.14 84.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.0 111.416 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.68 -35.91 81.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 21.1 mm -71.93 -33.99 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -61.82 -40.86 96.73 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 110.111 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.9 mm-40 -73.0 -26.22 61.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.676 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.484 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -69.5 -44.98 69.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 22.0 m-85 -56.43 -38.98 72.33 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.475 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -72.6 -32.96 66.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.702 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 87' ' ' GLU . 35.4 t -80.69 -48.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.544 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.739 ' HA ' HG11 ' A' ' 108' ' ' VAL . 48.3 m-85 -63.6 -42.17 98.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 110.355 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.865 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.8 t0 -65.32 142.83 58.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.03 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HB3' ' CG ' ' A' ' 107' ' ' HIS . 14.9 pttp -88.49 -25.98 22.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.77 -2.14 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.07 37.44 54.14 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.454 -0.794 . . . . 0.0 114.998 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.652 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -74.23 2.73 8.48 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.822 1.311 . . . . 0.0 111.634 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.43 22.76 33.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.533 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.652 ' HB2' HD21 ' A' ' 97' ' ' ASN . 52.5 m-85 -149.26 148.12 29.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 79.4 mt -113.45 105.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.23 0.538 . . . . 0.0 110.878 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.674 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -109.05 178.92 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.669 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -62.41 -54.32 41.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.736 0.303 . . . . 0.0 111.626 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.52 41.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.707 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.865 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.4 mm-40 -61.1 -48.06 83.42 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 109' ' ' MET . 12.4 mt -54.38 -49.91 68.76 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.16 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.9 mtt180 -65.67 -45.74 81.74 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.09 -175.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.622 ' CG ' ' HB3' ' A' ' 94' ' ' LYS . 17.3 t60 -49.96 -42.27 48.32 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.418 0.449 . . . . 0.0 111.67 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.739 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -85.7 -34.05 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.506 0.67 . . . . 0.0 110.52 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tpt -77.4 -74.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.384 -167.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.6 t -133.16 -10.26 2.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.639 -0.663 . . . . 0.0 112.658 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 65.9 t30 -93.77 -173.52 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.482 -172.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.435 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -46.43 122.58 4.17 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.304 0.641 . . . . 0.0 111.319 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.441 -1.199 . . . . 0.0 111.907 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 2.0 pm0 -66.43 136.96 56.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.681 0.753 . . . . 0.0 111.167 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HG3' ' A' ' 106' ' ' ARG . 3.0 mm? -76.23 -33.15 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.382 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.16 -32.42 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.178 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.62 -49.95 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.0 tpt -67.21 -33.81 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.721 HG13 ' HB3' ' A' ' 102' ' ' ALA . 71.8 mt -61.84 -44.37 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.078 0 CA-C-O 121.512 0.673 . . . . 0.0 109.574 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.37 -38.12 84.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.127 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.9 -36.68 72.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.209 0.528 . . . . 0.0 111.001 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 63' ' ' ILE . 43.2 t -92.46 -30.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.683 -168.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -57.58 122.13 11.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.74 -28.45 15.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.38 -170.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -112.49 -4.12 14.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.347 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.75 73.31 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.276 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -85.39 4.1 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 -4.91 57.59 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.878 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -160.2 176.0 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.295 0.569 . . . . 0.0 110.696 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.79 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.2 mt -93.79 139.08 18.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -108.68 174.73 5.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 63.2 m-85 -53.71 -52.52 66.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.018 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 75.8 Cg_exo -52.7 -50.58 13.56 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.093 1.862 . . . . 0.0 112.615 173.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.601 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.06 -51.48 69.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 48.1 t80 -57.89 -49.17 77.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.633 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 85' ' ' ILE . 4.3 mm? -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.808 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.7 m -69.37 -45.59 68.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.591 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 93.2 mmm -71.16 -18.88 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.442 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' A' ' 76' ' ' MET . 20.9 ttt -73.06 -68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' HA ' ' HG2' ' A' ' 77' ' ' LYS . . . -52.71 -16.98 1.11 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.517 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.591 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 15.8 tpt180 -45.93 -46.78 16.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.529 0.681 . . . . 0.0 109.38 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -130.35 -51.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.952 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.645 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.7 ttt -108.91 113.27 26.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.474 -169.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HG2' ' HA ' ' A' ' 73' ' ' ALA . 4.3 mmtp -113.29 128.78 56.58 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.779 -0.575 . . . . 0.0 111.26 175.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -136.71 -83.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.38 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.66 115.46 23.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.667 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -128.62 72.98 1.47 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.012 0.911 . . . . 0.0 110.61 167.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.588 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 48.8 m -143.41 134.55 25.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 162.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 45.2 mt-10 -54.95 -34.8 63.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.216 -165.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -56.14 -51.92 66.2 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' OE2' ' HB2' ' A' ' 81' ' ' SER . 1.9 mp0 -65.47 -39.33 91.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.884 0.374 . . . . 0.0 110.019 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 69' ' ' LEU . 38.2 mm -65.1 -38.36 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.513 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 20.4 mmm180 -60.77 -43.87 97.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 7.6 tp10 -68.63 -31.5 70.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.204 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.2 58.46 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.671 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.0 m-85 -57.04 -30.54 64.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.159 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 57.9 ttt180 -77.02 -33.94 57.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.939 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' GLU . 77.4 t -86.72 -37.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.99 0.424 . . . . 0.0 111.572 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 108' ' ' VAL . 28.5 m-85 -79.25 14.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.464 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.907 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.9 t0 -131.68 150.11 52.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.758 ' HG2' ' HB2' ' A' ' 107' ' ' HIS . 83.1 mttt -71.64 -37.57 70.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.787 0.803 . . . . 0.0 109.627 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.09 -1.06 12.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.145 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.2 46.12 15.71 Favored Glycine 0 CA--C 1.523 0.539 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.942 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.574 HD22 ' HD2' ' A' ' 99' ' ' TYR . 3.6 p-10 -75.69 18.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.816 1.308 . . . . 0.0 112.648 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.27 78.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.914 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.574 ' HD2' HD22 ' A' ' 97' ' ' ASN . 83.3 m-85 -147.59 137.98 23.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 75.8 mt -109.22 102.42 13.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.314 0.578 . . . . 0.0 110.63 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.533 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 26.5 t -110.43 166.26 11.13 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.721 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -65.37 -14.31 60.55 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 -168.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.13 -37.38 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.907 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.0 mm-40 -61.69 -38.18 86.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.797 174.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.614 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.2 mm? -54.24 -44.14 71.5 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.696 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 48' ' ' LEU . 32.4 mmt180 -59.21 -48.95 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.758 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 80.4 t60 -49.27 -50.18 40.11 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.652 0.595 . . . . 0.0 112.417 177.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.511 ' CB ' ' HA ' ' A' ' 92' ' ' PHE . 8.7 p -84.41 -35.0 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.266 0.555 . . . . 0.0 111.357 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.614 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 4.7 tmm? -81.09 -72.68 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.102 -167.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 p -129.53 -25.93 2.57 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 62.1 t30 -88.58 -173.56 4.2 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 122.214 -0.304 . . . . 0.0 111.057 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 70.9 mt -46.59 131.11 11.37 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.457 0.703 . . . . 0.0 112.564 -175.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' HA2' ' ND1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.251 1.218 0 CA-C-O 118.348 -1.251 . . . . 0.0 111.71 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 120.938 0.399 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -81.55 135.03 35.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? -65.98 -3.42 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -171.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.53 -50.42 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.181 0.446 . . . . 0.0 110.307 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.95 -34.26 77.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.285 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.3 tpp -66.42 -30.93 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.25 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 48' ' ' LEU . 84.3 mt -63.27 -44.95 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.8 -25.21 66.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.563 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.61 -41.78 13.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 111.657 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -88.6 -32.26 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -172.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.91 124.57 20.59 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.129 0.49 . . . . 0.0 109.872 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.43 -29.9 13.67 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.435 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -113.34 -13.13 12.93 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.362 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.93 20.09 63.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.997 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -79.08 -2.18 39.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.526 0.663 . . . . 0.0 111.498 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.5 2.44 61.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.138 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -159.13 178.16 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.157 0.503 . . . . 0.0 110.757 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.801 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -93.77 140.21 16.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.286 169.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.579 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.4 t70 -111.96 172.48 6.88 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.541 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 51.2 m-85 -54.03 -48.41 94.1 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 118.749 0.704 . . . . 0.0 111.672 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.9 Cg_endo -55.77 -46.28 32.8 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.333 2.022 . . . . 0.0 112.638 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.3 mt-10 -61.1 -53.66 54.29 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 -176.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 24.7 t80 -58.89 -47.55 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -176.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.6 mt -67.74 -44.75 76.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.217 -177.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -73.85 -43.39 58.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.179 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.13 -30.28 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.755 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.0 ttm -64.53 -68.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -56.21 -16.83 5.92 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.1 -51.06 8.27 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.818 0.699 . . . . 0.0 111.139 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -129.93 -50.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.5 ttt -109.19 109.98 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.081 -175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.515 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 26.9 tptp -108.49 115.52 30.27 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.329 176.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -123.93 -61.62 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.209 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 81' ' ' SER . 1.7 m -95.71 97.95 10.09 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.124 -171.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.52 101.54 13.18 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 164.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.571 ' O ' HG12 ' A' ' 85' ' ' ILE . 74.1 m -163.61 73.2 0.3 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -164.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -52.97 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.081 -172.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.01 -43.11 81.5 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 34.3 mt-10 -64.27 -38.66 91.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.392 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.582 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -62.07 -40.04 85.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -61.74 -47.34 85.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.797 0.808 . . . . 0.0 109.517 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.41 -37.42 83.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.107 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -46.95 86.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.701 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 25.1 m-85 -55.07 -42.47 72.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.632 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.03 -33.42 51.07 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.86 -48.72 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.626 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.7 m-85 -60.71 -38.72 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.601 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.785 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 21.2 t0 -61.85 143.7 55.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.17 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 -44.05 53.15 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 122.043 0.925 . . . . 0.0 109.325 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -100.37 -4.68 28.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.852 -171.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 59.14 34.51 79.93 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.291 -0.868 . . . . 0.0 114.941 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.456 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.1 p-10 -74.5 7.41 2.95 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.974 1.387 . . . . 0.0 112.349 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.53 23.61 42.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.439 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.701 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 55.3 m-85 -150.72 150.91 31.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.9 mt -111.13 102.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.247 0.546 . . . . 0.0 110.986 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.706 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.4 m -98.67 165.95 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -55.98 -48.86 75.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.708 0.289 . . . . 0.0 110.976 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.713 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.65 -46.49 63.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.834 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.785 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -60.07 -42.01 93.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.18 -47.77 84.08 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.392 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 24.8 ptt180 -56.16 -48.91 75.4 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.987 ' HB2' ' HA2' ' A' ' 113' ' ' GLY . 8.5 t60 -50.24 -54.18 22.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.699 0.624 . . . . 0.0 112.584 177.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 92' ' ' PHE . 12.7 p -84.85 -33.42 8.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.145 -169.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 ttp -76.43 -73.2 0.29 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.95 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -132.38 -37.75 1.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.2 m120 -96.07 -173.87 2.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 2.9 pp -69.16 154.24 42.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.756 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.987 ' HA2' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.876 -0.958 . . . . 0.0 111.174 173.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.127 0.489 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.4 pm0 -83.09 115.14 21.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.301 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.042 HD13 ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -64.23 2.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -169.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 52' ' ' ILE . 12.3 mm100 -57.49 -26.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.944 0.338 . . . . 0.0 110.802 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 7.9 p-10 -60.17 -51.78 68.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.546 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.484 ' HB3' HD23 ' A' ' 48' ' ' LEU . 24.3 ttt -70.38 -27.28 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 102' ' ' ALA . 10.9 mt -65.23 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.917 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -76.14 -16.6 59.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 21.9 mm-40 -81.65 -15.54 54.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.297 . . . . 0.0 111.368 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -111.95 -30.63 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 11.8 p-10 -62.77 79.64 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.906 0.86 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -72.1 -32.95 67.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 9.8 m-20 -87.2 -17.57 32.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 56' ' ' ASP . . . 79.81 10.9 85.21 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.336 -170.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.92 1.18 36.44 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 111.393 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.35 90.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.536 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -148.85 148.33 29.77 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -77.72 143.85 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 2.4 m-20 -113.63 175.55 5.41 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 85.5 m-85 -55.75 -50.46 86.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.796 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.83 -48.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.544 2.163 . . . . 0.0 113.179 174.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.634 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 61.7 mt-10 -65.0 -50.99 64.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.782 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.516 ' HD1' HG21 ' A' ' 63' ' ' ILE . 45.5 t80 -58.88 -46.26 88.26 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.4 mt -61.86 -40.83 96.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.595 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.8 m -69.72 -44.1 71.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.108 0.48 . . . . 0.0 110.832 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.98 -33.55 76.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 ttt -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 121.294 0.568 . . . . 0.0 109.537 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.89 -19.08 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -47.26 -51.7 18.17 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.847 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 75' ' ' LYS . 38.4 mtpt -111.32 -53.95 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.389 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.49 105.81 13.81 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.923 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -115.88 115.91 27.06 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.377 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -150.2 -39.22 0.14 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.863 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -58.92 120.27 8.74 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.275 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.87 107.9 13.71 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 162.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.711 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 57.3 m -163.87 66.02 0.17 Allowed 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -166.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.3 tt0 -53.57 -49.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -37.39 82.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.55 0.214 . . . . 0.0 111.139 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.711 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 28.5 mt-10 -67.3 -37.1 82.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.539 0.209 . . . . 0.0 110.927 176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 81' ' ' SER . 47.2 mm -65.04 -38.17 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 90.5 mtt180 -66.81 -41.97 86.68 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.278 0.561 . . . . 0.0 109.851 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.22 -42.97 96.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.315 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.67 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.752 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 9.0 m-85 -58.37 -34.33 70.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.452 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -71.91 -38.84 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.993 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.708 ' O ' HG21 ' A' ' 108' ' ' VAL . 71.5 t -75.12 -45.15 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.956 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.832 ' HA ' HG11 ' A' ' 108' ' ' VAL . 54.0 m-85 -77.73 16.69 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.848 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 43.4 t0 -125.17 139.74 53.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 4.9 mtpm? -72.88 -34.38 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.55 12.69 12.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.891 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 42.35 45.44 5.31 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -78.84 5.12 12.15 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.357 1.079 . . . . 0.0 111.462 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.78 22.88 34.82 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.483 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.4 m-85 -150.71 144.23 25.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 109.95 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 89' ' ' PHE . 71.2 mt -109.46 103.95 16.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 -173.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.746 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 30.5 t -106.02 -178.84 3.77 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.3 -54.87 14.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 1.042 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.53 -43.67 56.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 110.979 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.848 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -57.23 -52.95 63.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.725 176.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 109' ' ' MET . 27.0 tp -59.37 -50.44 73.96 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.723 -173.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CD ' HD21 ' A' ' 48' ' ' LEU . 74.5 mtt180 -62.24 -57.01 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.649 -175.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.711 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 53.3 t-80 -50.62 -40.65 53.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.826 0.704 . . . . 0.0 111.687 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -86.72 -38.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.151 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 40.0 ttp -69.8 -73.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.559 -174.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 m -134.26 -43.46 0.78 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 11.7 m120 -105.62 -172.59 2.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.687 -166.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.96 140.4 39.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.331 0.586 . . . . 0.0 110.081 173.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.441 -0.974 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.635 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.607 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 9.4 pt-20 -85.14 62.08 7.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.164 0.507 . . . . 0.0 111.699 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 106' ' ' ARG . 18.5 mt -78.33 -39.34 39.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.806 -0.559 . . . . 0.0 110.756 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -57.06 -37.57 72.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.799 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.605 ' HB2' ' HB2' ' A' ' 47' ' ' GLU . 12.4 m-20 -60.7 -53.58 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.525 176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.6 tpt -61.72 -38.62 88.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.76 HG13 ' HB3' ' A' ' 102' ' ' ALA . 31.2 mt -57.24 -43.13 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.469 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.6 -22.34 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.417 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -79.39 -33.85 42.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.256 0.55 . . . . 0.0 110.163 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' MET . 23.2 t -91.58 -30.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.361 -176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 33.9 t0 -61.24 120.9 11.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.391 0.615 . . . . 0.0 110.078 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.67 -31.73 12.12 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.542 -171.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -107.95 -14.72 14.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.369 -174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 20.46 59.85 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.198 -1.001 . . . . 0.0 114.067 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -79.97 -1.66 40.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 111.333 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.65 63.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.459 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.0 t -159.86 178.68 9.51 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.138 0.494 . . . . 0.0 110.424 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.46 141.2 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 170.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.552 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 t70 -112.16 174.87 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 43.1 m-85 -54.68 -50.99 82.55 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 118.678 0.672 . . . . 0.0 111.261 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.2 Cg_exo -54.87 -46.35 33.96 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.981 1.787 . . . . 0.0 112.606 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 39.8 mt-10 -61.23 -53.39 57.53 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -56.25 -46.02 79.79 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.426 0.454 . . . . 0.0 111.006 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -65.03 -42.57 94.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.1 m -72.01 -44.61 63.18 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.887 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmt -64.25 -30.0 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.384 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 76' ' ' MET . 20.9 ttt -65.71 -66.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.756 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -52.91 -16.26 0.98 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.89 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -47.71 -49.73 27.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.139 0.495 . . . . 0.0 109.743 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -115.2 -53.81 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.28 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 72' ' ' MET . 92.9 mmm -113.74 114.19 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.632 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.756 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 24.0 tptp -110.73 114.24 27.46 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.349 -0.94 . . . . 0.0 110.446 171.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -175.85 86.85 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.649 ' CG2' HD11 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -119.75 170.56 9.1 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.968 0.889 . . . . 0.0 112.514 -172.009 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-20 -88.05 -168.7 2.3 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.095 165.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.418 ' O ' HG12 ' A' ' 85' ' ' ILE . 76.5 p -65.79 162.21 19.26 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.851 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.86 -32.64 70.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 48.0 mt-10 -57.55 -43.73 84.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.304 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.646 ' HG3' ' HB3' ' A' ' 80' ' ' ASP . 59.4 mm-40 -65.53 -35.34 80.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 109.965 176.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.649 HD11 ' CG2' ' A' ' 79' ' ' THR . 39.4 mm -68.66 -40.33 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.331 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 18.9 ptp180 -66.85 -35.54 80.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.604 -0.439 . . . . 0.0 109.931 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' GLU . 43.0 mt-10 -67.61 -33.66 75.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.76 85.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 18.3 m-85 -57.34 -37.01 71.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.259 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -76.13 -34.34 59.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.373 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 108' ' ' VAL . 90.9 t -86.32 -38.76 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' HA ' HG11 ' A' ' 108' ' ' VAL . 39.5 m-85 -72.28 -30.31 64.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.174 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.914 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.5 t70 -71.9 148.4 46.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.832 170.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.776 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 98.6 mttt -66.87 -44.98 79.51 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.176 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -110.53 15.29 22.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.449 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.45 39.87 15.32 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.257 -0.883 . . . . 0.0 114.975 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -77.78 21.13 0.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.754 1.277 . . . . 0.0 112.581 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.61 22.6 74.87 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.588 173.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.609 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.2 m-85 -147.32 146.29 29.65 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 76.5 mt -110.21 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.747 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 19.3 m -100.84 158.9 15.63 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -52.68 -53.35 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.266 . . . . 0.0 111.419 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' HA3' ' A' ' 113' ' ' GLY . . . -49.54 -46.21 48.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.957 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.914 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -64.34 -47.18 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 62.7 tp -55.19 -40.02 70.25 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.217 -175.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.795 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.3 mtt180 -78.58 -57.77 3.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.444 -175.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.642 ' HB2' ' CA ' ' A' ' 113' ' ' GLY . 5.6 t60 -55.37 -35.18 64.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.502 0.501 . . . . 0.0 111.653 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' ' 92' ' ' PHE . 2.5 p -85.36 -44.29 17.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.729 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.456 ' SD ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -75.57 -75.13 0.19 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.456 HG23 ' SD ' ' A' ' 109' ' ' MET . 1.2 p -134.1 -43.85 0.79 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.506 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 6.4 t-20 -92.53 -172.47 3.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.466 -168.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 133.99 34.61 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.45 0.643 . . . . 0.0 109.614 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.779 ' HA2' HD11 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.437 -1.268 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.947 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.612 'CA ' ' OD1' ' A' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.762 0.315 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -89.48 147.03 24.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.045 HD23 ' HA ' ' A' ' 103' ' ' ALA . 16.2 tp -88.62 3.73 49.51 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 52' ' ' ILE . 63.5 tt0 -52.71 -29.98 29.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.13 -44.92 90.7 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.315 0.578 . . . . 0.0 110.426 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -62.87 -34.36 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.427 176.38 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 49' ' ' GLN . 66.2 mt -64.18 -34.58 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.817 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -76.32 -22.49 54.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.76 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.93 -34.5 29.84 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.249 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.07 -30.77 18.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.07 0.462 . . . . 0.0 110.344 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.4 109.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.627 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.76 -43.78 7.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.929 -171.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -125.05 -4.98 7.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.718 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.53 77.61 1.17 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.046 -174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.8 -29.16 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.532 -0.834 . . . . 0.0 110.247 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 -2.73 80.62 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -159.18 177.34 11.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.455 -1.373 . . . . 0.0 108.786 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.578 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -96.03 146.33 7.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 9.0 t70 -110.68 175.96 5.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 84.4 m-85 -55.71 -56.86 25.27 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 112.744 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 18.9 Cg_endo -60.62 -34.38 92.36 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.755 1.637 . . . . 0.0 112.017 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.9 mt-10 -72.6 -43.34 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.664 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' HA ' HD13 ' A' ' 63' ' ' ILE . 62.0 t80 -60.05 -42.07 93.68 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.208 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -63.33 -33.35 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.322 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -80.68 -41.58 23.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.137 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG3' HD11 ' A' ' 63' ' ' ILE . 24.0 mmt -65.61 -29.38 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 174.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 76' ' ' MET . 36.5 ttm -66.16 -68.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.533 ' HB2' ' HD2' ' A' ' 77' ' ' LYS . . . -55.1 -13.83 1.36 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.102 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.8 tpm_? -46.41 -45.94 18.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.552 0.533 . . . . 0.0 109.666 176.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -119.19 -52.34 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.09 170.455 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' HG2' ' A' ' 72' ' ' MET . 23.2 ptt? -111.51 119.4 38.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.498 -0.126 . . . . 0.0 111.281 -171.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' HD2' ' HB2' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -93.73 114.0 26.19 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 119.639 -0.824 . . . . 0.0 109.64 173.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.83 -146.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 m -60.25 135.11 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.723 0.409 . . . . 0.0 111.085 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -128.21 76.99 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.151 0.977 . . . . 0.0 111.232 168.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 85' ' ' ILE . 13.2 p -131.72 127.76 37.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 165.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.482 ' OE2' ' HD2' ' A' ' 86' ' ' ARG . 24.7 tt0 -52.77 -42.3 64.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.017 0.823 . . . . 0.0 111.883 -164.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 5.5 mp0 -60.2 -43.59 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.551 0.215 . . . . 0.0 111.531 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.24 -38.99 86.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.256 0.55 . . . . 0.0 109.604 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 81' ' ' SER . 33.9 mm -67.3 -35.84 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.656 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 29.2 mtp85 -62.4 -42.72 99.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.757 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 36.5 tt0 -69.49 -28.62 66.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 109.906 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -69.56 -42.68 74.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.809 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.634 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.7 m-85 -54.83 -35.26 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 111.42 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HD3' ' HA ' ' A' ' 87' ' ' GLU . 59.6 mtp180 -71.57 -37.73 71.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.294 177.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.4 p -86.49 -21.93 7.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -173.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.442 ' C ' HG11 ' A' ' 108' ' ' VAL . 32.0 m-85 -96.98 15.05 23.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.213 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.712 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 13.6 t70 -126.09 132.67 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.727 ' HG2' ' OE1' ' A' ' 104' ' ' GLU . 9.7 ptmm? -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 -172.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -107.41 13.39 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.713 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 48.15 36.82 16.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.157 0.823 . . . . 0.0 115.157 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.41 19.53 1.23 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.335 1.068 . . . . 0.0 113.393 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.23 23.65 62.84 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.903 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.634 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 46.0 m-85 -150.53 162.28 40.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.518 HD11 ' HA ' ' A' ' 89' ' ' PHE . 67.7 mt -122.86 104.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.17 0.509 . . . . 0.0 111.131 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.571 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 22.9 t -101.42 168.2 9.67 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -63.58 -54.78 30.6 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.143 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 1.045 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -52.79 -36.28 57.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.492 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.727 ' OE1' ' HG2' ' A' ' 94' ' ' LYS . 16.4 mm-40 -60.64 -49.92 75.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.365 174.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 10.4 mt -53.21 -44.57 68.11 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.622 -174.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -78.72 -53.43 7.15 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.165 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 79.3 m-70 -66.83 -25.95 66.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 104' ' ' GLU . 8.1 p -85.29 -47.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.469 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tmm? -69.11 -54.03 17.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.492 -172.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -128.11 -41.45 1.6 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.094 -0.379 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.2 m120 -72.89 -173.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.05 121.96 38.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.77 -1.016 . . . . 0.0 112.139 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.901 0.381 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.26 155.82 48.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.236 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.566 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.2 mm? -75.0 -32.4 61.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -164.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.12 -31.8 70.75 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.461 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -51.03 71.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.4 tpp -64.09 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.1 mt -60.79 -44.43 97.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' ' OD1' ' A' ' 56' ' ' ASP . 95.5 m-20 -71.79 -23.22 61.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.46 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.26 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.031 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.82 -33.27 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 53' ' ' ASN . 8.4 p-10 -71.87 87.0 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.533 1.158 . . . . 0.0 112.018 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -69.59 -30.47 68.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.47 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 5.6 m-20 -80.01 -17.07 53.77 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 76.15 16.78 80.44 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.846 -170.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -88.18 0.65 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 111.526 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.469 ' H ' ' HB2' ' A' ' 56' ' ' ASP . . . 80.3 13.48 81.78 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.598 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -158.04 147.56 19.77 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.895 0.379 . . . . 0.0 110.089 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.646 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -77.85 140.84 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 2.0 m-20 -113.33 173.4 6.42 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 71.9 m-85 -52.89 -48.54 91.08 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.278 175.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.3 Cg_exo -54.4 -53.85 5.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.978 1.786 . . . . 0.0 112.831 174.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.578 ' OE1' ' HA ' ' A' ' 63' ' ' ILE . 56.5 mt-10 -60.04 -52.44 65.34 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HD1' HG21 ' A' ' 63' ' ' ILE . 47.1 t80 -59.31 -47.23 86.16 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.261 0.351 . . . . 0.0 110.482 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.8 mt -66.48 -45.18 80.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.966 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.5 m -70.42 -46.69 63.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.726 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 mmt -60.95 -28.48 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.89 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' MET . 43.1 ttm -72.97 -69.98 0.38 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.15 -15.68 2.47 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -40.28 -47.72 2.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.707 0.629 . . . . 0.0 110.367 173.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -131.69 -37.32 1.19 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.468 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -110.43 112.7 24.8 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.566 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -114.27 117.67 31.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.616 -0.677 . . . . 0.0 109.316 167.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.21 -12.16 0.22 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.317 0.58 . . . . 0.0 111.098 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.6 166.57 20.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.036 0.922 . . . . 0.0 113.302 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.19 -152.44 0.09 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.671 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.8 p -67.74 161.63 25.61 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -164.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.97 -32.35 67.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.504 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.48 -38.02 89.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.047 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -32.31 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 41.1 mm -66.98 -35.96 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.235 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -63.17 -45.4 92.0 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.411 0.624 . . . . 0.0 110.009 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.4 mm-40 -69.24 -25.93 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.022 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.51 79.95 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.891 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.9 m-85 -57.7 -35.63 70.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.119 0.485 . . . . 0.0 111.038 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -76.22 -31.66 58.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.033 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 87' ' ' GLU . 81.8 t -83.32 -43.5 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.588 0.232 . . . . 0.0 111.219 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.892 ' HA ' HG11 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.69 16.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.0 111.314 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.926 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 53.3 t0 -132.42 142.87 49.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' HD3' ' CG ' ' A' ' 107' ' ' HIS . 15.7 pttp -87.38 -16.08 35.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 0.0 110.068 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -118.33 1.83 11.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.659 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.25 41.7 11.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.754 1.061 . . . . 0.0 115.754 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.534 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -77.35 18.59 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.772 1.286 . . . . 0.0 112.236 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.92 21.51 78.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.91 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 97' ' ' ASN . 63.5 m-85 -150.45 141.96 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.646 ' HB ' HG22 ' A' ' 63' ' ' ILE . 83.2 mt -110.58 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -173.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.535 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.8 t -108.73 171.7 7.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -57.83 -54.29 48.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.45 -46.25 56.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.649 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.926 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.3 mm-40 -61.21 -51.8 67.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.631 0.729 . . . . 0.0 109.113 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.649 ' O ' ' HB2' ' A' ' 109' ' ' MET . 63.6 tp -58.34 -43.23 88.18 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.213 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 84.5 mtt180 -77.7 -45.12 25.77 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.626 -175.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 65.9 t-80 -50.99 -37.28 43.93 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.164 0.507 . . . . 0.0 111.257 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.892 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.2 p -86.96 -40.69 14.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.899 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.649 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.12 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -168.034 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.88 -16.85 2.86 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 6.5 t-20 -86.78 -173.55 4.53 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 tp -37.84 119.35 0.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.303 0.641 . . . . 0.0 112.138 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 118.342 -1.254 . . . . 0.0 111.67 -179.252 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.611 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.61 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.757 0.313 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -97.85 155.8 16.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? -80.67 -28.36 36.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.28 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' HD12 ' A' ' 52' ' ' ILE . 61.7 tt0 -63.59 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 110.098 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.14 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.048 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.2 tpt -58.58 -36.52 74.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.717 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 48' ' ' LEU . 62.1 mt -61.18 -46.29 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.288 0.566 . . . . 0.0 109.627 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.63 -21.71 64.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.57 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.59 -43.92 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.224 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.2 t -97.18 -31.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -167.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 24.3 t0 -67.05 123.39 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.259 0.552 . . . . 0.0 110.291 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.91 15.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.575 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -118.63 -3.03 10.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.491 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.79 32.12 73.7 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.102 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -92.31 -0.48 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.331 0.566 . . . . 0.0 111.053 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.73 -0.81 56.64 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.706 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -158.88 175.03 14.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.734 HD11 ' HG3' ' A' ' 71' ' ' MET . 0.1 OUTLIER -94.69 142.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.1 m-20 -113.0 179.38 3.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 86' ' ' ARG . 70.8 m-85 -55.75 -52.54 71.37 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.854 174.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.1 Cg_endo -52.73 -50.58 13.55 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.95 -52.23 66.31 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' ILE . 73.7 t80 -61.54 -48.84 79.2 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -58.78 -45.46 89.76 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.252 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.648 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 48.3 m -63.79 -35.3 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 111.401 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.734 ' HG3' HD11 ' A' ' 63' ' ' ILE . 97.2 mmm -51.95 -43.03 63.33 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.556 0.217 . . . . 0.0 110.934 173.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 74' ' ' ARG . 53.9 tpp -74.53 -60.81 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.71 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -46.81 -6.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 72' ' ' MET . 32.0 mtm180 -47.57 -40.73 19.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.908 0.322 . . . . 0.0 111.495 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.59 -57.66 2.25 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.629 168.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.71 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.2 ptt? -106.41 135.73 47.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.571 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 1.4 tmtp? -101.52 114.94 29.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -172.21 100.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.429 HG21 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -122.13 177.03 5.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.254 -177.074 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -75.69 -166.25 0.53 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 162.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 85' ' ' ILE . 58.8 p -69.77 157.34 37.52 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.367 0.603 . . . . 0.0 111.662 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 33.6 mt-10 -67.91 -26.26 65.9 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.302 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -69.53 -40.68 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 50.3 mm -60.5 -41.65 88.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.347 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 43.3 mtm180 -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.455 0.645 . . . . 0.0 110.096 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.93 -33.01 70.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.558 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.13 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.151 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.656 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.1 m-85 -59.64 -30.82 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -76.02 -35.91 59.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.732 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.46 -47.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.526 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' HG11 ' A' ' 108' ' ' VAL . 13.5 m-85 -60.7 -44.43 96.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.953 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.98 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 12.3 t70 -68.73 148.64 50.07 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.323 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 98.4 mttt -70.66 -46.21 63.66 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.663 0.744 . . . . 0.0 110.423 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 7.8 p-10 -106.8 9.6 30.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.101 -172.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.436 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 49.09 38.82 25.67 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 114.754 -1.112 . . . . 0.0 115.069 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 3.5 p-10 -76.51 21.85 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.849 1.324 . . . . 0.0 113.187 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.03 21.39 78.44 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.423 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.656 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 65.4 m-85 -146.51 148.85 32.62 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 105' ' ' LEU . 38.5 mt -106.93 102.36 13.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.102 0.477 . . . . 0.0 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.702 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 6.6 m -97.81 -179.78 4.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 52' ' ' ILE . . . -67.21 -54.91 16.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -51.99 -32.57 34.28 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.073 0.463 . . . . 0.0 111.246 174.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.98 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.1 mm-40 -75.41 -42.93 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.502 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.36 -45.55 65.8 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.498 -179.47 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HD2' HD13 ' A' ' 48' ' ' LEU . 88.1 mtt180 -76.29 -41.09 49.94 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.691 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CE1' ' HA2' ' A' ' 113' ' ' GLY . 47.9 t60 -49.85 -45.75 50.68 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.235 0.54 . . . . 0.0 111.537 175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.4 p -84.18 -38.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.538 -177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.7 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 16.7 ttp -74.3 -73.0 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.853 -169.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -129.8 -15.08 3.95 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 63.1 t30 -92.98 -173.88 3.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -175.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.447 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 59.3 tp -54.3 125.88 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.592 0.357 . . . . 0.0 110.644 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.502 ' HA2' ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.297 -1.279 . . . . 0.0 111.795 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.6 'CA ' ' OD1' ' A' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.624 0.25 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -91.99 145.05 24.85 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.383 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 102' ' ' ALA . 4.5 mm? -77.99 5.83 9.04 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' ILE . 50.6 tt0 -50.84 -40.46 56.0 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -47.36 85.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.708 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.7 tpt -64.22 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' GLN . 79.6 mt -62.7 -49.16 84.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.39 -19.63 64.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.023 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.44 -43.26 17.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -32.1 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -65.26 123.99 21.01 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.287 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -97.28 -33.46 11.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.195 -174.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -119.24 5.54 11.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.079 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.56 66.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.777 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -87.46 1.63 52.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.8 4.52 67.33 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.392 172.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.0 t -160.59 176.98 10.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG21 ' HD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -93.25 141.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 168.034 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.655 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.6 t0 -112.87 178.49 4.27 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.507 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.8 m-85 -57.5 -50.61 87.15 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 118.85 0.75 . . . . 0.0 111.451 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 53.1 Cg_exo -54.08 -50.3 14.08 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.241 1.961 . . . . 0.0 112.607 174.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mp0 -58.18 -52.03 67.27 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.429 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.571 ' HD1' HG21 ' A' ' 63' ' ' ILE . 34.4 t80 -57.94 -51.71 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.458 0.17 . . . . 0.0 110.787 -174.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 85' ' ' ILE . 3.5 mm? -68.67 -53.98 19.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.03 -46.32 68.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.777 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 51.0 tpp -61.83 -35.67 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.364 0.126 . . . . 0.0 111.048 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 ttp -63.44 -66.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.573 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -55.97 -19.16 11.31 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.5 tpm_? -45.77 -43.93 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.763 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 23.5 mtpp -129.93 -35.14 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.594 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 24.5 mmt -91.92 -173.98 3.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.766 -176.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' HE2' ' OG1' ' A' ' 79' ' ' THR . 22.8 pttm -57.74 146.75 30.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 112.412 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -95.54 133.72 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 165.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.503 ' OG1' ' HE2' ' A' ' 77' ' ' LYS . 3.6 m -120.35 107.96 13.57 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.941 -173.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -87.55 98.02 11.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.993 0.901 . . . . 0.0 109.159 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.57 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 32.8 m -160.69 62.09 0.31 Allowed 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -52.25 -47.27 65.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.558 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.99 -46.24 82.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.357 0.598 . . . . 0.0 110.52 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 38.2 mt-10 -70.06 -40.76 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.264 -174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 HD21 ' A' ' 69' ' ' LEU . 30.3 mm -70.21 -37.55 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.445 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -63.85 -40.94 97.78 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.492 0.663 . . . . 0.0 109.801 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.1 -32.23 73.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.212 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.68 84.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.6 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 20.1 m-85 -58.16 -30.92 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.917 175.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -77.9 -40.55 39.49 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 93' ' ' ASP . 77.5 t -82.39 -39.38 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.082 0.468 . . . . 0.0 111.48 -173.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.753 ' HA ' HG11 ' A' ' 108' ' ' VAL . 44.2 m-85 -74.43 17.24 0.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.73 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.953 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.9 t0 -131.12 149.69 52.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -80.64 -32.66 36.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 109.517 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -112.16 -1.24 15.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.071 -175.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.567 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.87 42.79 29.95 Favored Glycine 0 C--O 1.228 -0.244 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.945 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.588 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.4 p-10 -75.8 20.86 0.17 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.79 1.295 . . . . 0.0 112.998 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.6 21.88 79.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.92 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 97' ' ' ASN . 56.2 m-85 -148.27 141.06 24.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 76.6 mt -104.58 103.52 15.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.281 0.562 . . . . 0.0 110.305 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.674 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 7.1 m -100.63 166.81 10.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.971 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 48' ' ' LEU . . . -55.13 -54.79 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -53.0 -40.76 64.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.16 0.505 . . . . 0.0 111.853 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.953 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.3 mm-40 -63.04 -43.79 97.71 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 21.1 mt -57.75 -40.16 79.05 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.222 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 10.7 ptt180 -65.82 -47.6 74.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.965 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -54.75 -42.38 71.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.757 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.753 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -84.51 -48.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.088 0.47 . . . . 0.0 111.326 -176.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.451 ' N ' HG13 ' A' ' 108' ' ' VAL . 10.6 tpt -74.57 -72.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.625 -166.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -122.01 -36.13 3.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 111' ' ' ASN . 3.4 m120 -83.38 -173.12 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 114.49 1.0 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.072 -173.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 175.31 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.779 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 8.5 tp10 -88.23 108.29 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.64 0.733 . . . . 0.0 111.415 -175.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' ' 103' ' ' ALA . 9.9 mt -79.09 -25.48 43.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.848 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.09 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.371 0.605 . . . . 0.0 110.029 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.779 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 16.9 t70 -64.04 -47.73 79.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.469 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 tpp -63.98 -31.47 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 75.7 mt -65.63 -38.65 82.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -62.05 -32.58 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.136 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -71.09 -37.02 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 t -85.36 -26.98 6.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.284 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.87 74.8 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.662 0.744 . . . . 0.0 111.209 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.26 62.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.835 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.62 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 5.7 p-10 -116.56 6.06 13.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -169.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.36 70.04 1.36 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 119.967 -1.111 . . . . 0.0 112.548 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -140.06 -20.08 0.89 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.489 . . . . 0.0 111.859 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.44 6.6 80.62 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -158.63 -178.42 7.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB ' ' A' ' 100' ' ' ILE . 1.6 tt -93.41 147.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.642 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 8.2 m-20 -102.65 167.58 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 39.3 m-85 -54.54 -55.71 34.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 118.654 0.661 . . . . 0.0 111.788 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 23.2 Cg_endo -61.77 -36.48 73.67 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.778 1.652 . . . . 0.0 111.678 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.584 ' HB3' ' H ' ' A' ' 64' ' ' ASP . 6.8 tt0 -62.53 -54.91 32.85 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.997 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.409 ' HD1' HD13 ' A' ' 63' ' ' ILE . 86.0 t80 -56.17 -45.61 79.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -63.94 -40.41 96.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -76.38 -43.46 40.58 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -36.53 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.751 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 43.7 ttp -62.41 -63.75 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 78' ' ' ASP . . . -56.14 -15.99 4.52 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -52.29 -51.24 59.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 0.0 110.476 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -126.68 -44.87 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 13.2 tpt -78.29 175.32 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.439 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.65 149.34 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.965 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 73' ' ' ALA . 4.2 p-10 -104.33 137.29 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 173.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.5 m -123.01 118.49 27.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.94 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -94.52 104.0 15.95 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.6 m -167.22 66.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.65 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 20.4 tt0 -48.33 -52.62 20.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.555 -165.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 -36.13 72.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.712 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.8 -45.62 60.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 69' ' ' LEU . 35.3 mm -67.78 -37.19 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.225 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 16.5 mtp180 -61.72 -42.72 99.32 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.141 0.496 . . . . 0.0 109.978 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.0 tt0 -73.44 -26.61 61.02 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.67 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -66.8 -44.14 82.03 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.7 m-85 -52.83 -41.09 63.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -74.91 -25.62 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.611 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 41.2 t -79.86 -44.0 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.77 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 5.3 m-85 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.424 0.63 . . . . 0.0 109.398 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.673 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 9.8 t0 -57.97 141.7 48.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.649 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 107' ' ' HIS . 97.0 mttt -76.26 -41.18 49.81 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 109.672 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -105.07 2.59 29.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.724 -170.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.28 35.88 51.35 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.848 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.495 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -75.01 -0.59 19.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.785 1.293 . . . . 0.0 111.657 178.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.5 22.84 27.96 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.368 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.4 m-85 -152.55 146.73 25.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.93 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.519 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 65.7 mt -108.99 101.84 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.595 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.691 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -101.71 -179.36 3.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.499 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -62.44 -54.59 37.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.803 0.274 . . . . 0.0 111.337 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -48.35 -44.91 34.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.099 0.476 . . . . 0.0 111.27 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.691 ' HG3' ' H ' ' A' ' 101' ' ' SER . 4.3 mm-40 -63.94 -47.65 79.62 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.577 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.586 ' O ' ' HB2' ' A' ' 109' ' ' MET . 42.5 tp -57.21 -45.48 83.76 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.782 -174.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 6.8 mtp180 -63.61 -44.37 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.226 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' CD2' ' HA2' ' A' ' 113' ' ' GLY . 6.6 t-80 -48.26 -45.63 34.75 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.735 0.647 . . . . 0.0 112.02 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.77 ' HB ' ' HA ' ' A' ' 92' ' ' PHE . 12.1 p -85.61 -30.31 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 19.7 ttt -81.02 -73.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.228 -166.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -129.45 -20.07 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.618 -0.676 . . . . 0.0 112.043 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 55.5 t30 -79.62 -174.9 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -70.22 132.74 46.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.085 0.469 . . . . 0.0 111.035 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.36 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.642 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -125.89 148.84 49.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.022 HD11 ' HD2' ' A' ' 106' ' ' ARG . 2.7 mm? -81.51 3.39 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -171.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -57.3 -31.3 65.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -58.01 -57.62 12.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.23 0.538 . . . . 0.0 109.776 174.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 55' ' ' VAL . 16.2 tpt -59.58 -32.74 70.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.968 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.4 mt -64.49 -39.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.482 ' HA ' ' OD2' ' A' ' 56' ' ' ASP . 4.1 m-20 -74.42 -19.59 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.659 -178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -82.57 -32.09 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 51' ' ' MET . 79.8 t -84.93 -33.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 53' ' ' ASN . 2.7 p30 -61.65 131.88 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 110.978 177.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.1 -29.08 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.735 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.598 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 6.9 p-10 -122.05 -0.73 9.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.489 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.72 25.78 48.65 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.669 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -76.99 -6.75 53.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.657 1.229 . . . . 0.0 111.809 171.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.28 -1.21 86.04 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.918 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -144.56 159.57 42.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -88.03 142.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 171.149 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.578 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.9 t70 -110.07 173.13 6.47 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 97.4 m-85 -50.61 -55.45 26.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.483 0.583 . . . . 0.0 112.336 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 34.8 Cg_exo -60.06 -38.64 76.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.919 1.746 . . . . 0.0 112.749 177.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.578 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 46.8 mt-10 -68.33 -42.88 78.66 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.837 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.673 ' HA ' HD13 ' A' ' 63' ' ' ILE . 77.6 t80 -56.36 -49.01 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.743 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD12 ' HE2' ' A' ' 77' ' ' LYS . 4.1 mm? -64.06 -34.66 78.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.014 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -76.97 -45.08 28.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.417 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.725 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 21.3 mmt -63.17 -37.49 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.322 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 tpt -64.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.665 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -51.18 -14.62 0.26 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 12.5 mmm180 -47.0 -43.6 19.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.177 0.513 . . . . 0.0 110.408 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -118.15 -54.28 2.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.886 174.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -115.72 126.55 54.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.945 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.665 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 20.8 tptp -95.74 122.17 38.23 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.365 173.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -98.13 -156.61 0.55 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.867 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.2 m -65.08 133.3 51.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.03 79.25 1.89 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.533 0.682 . . . . 0.0 112.017 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 85' ' ' ILE . 11.4 m -114.51 117.74 31.79 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 164.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 43.8 tt0 -50.07 -43.29 51.2 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.359 0.412 . . . . 0.0 111.791 -167.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.43 -38.89 88.41 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.55 -38.69 91.88 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 81' ' ' SER . 51.0 mm -60.61 -40.37 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.095 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.643 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 47.4 mtt180 -61.85 -42.63 99.27 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.3 tt0 -73.1 -27.93 61.99 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.484 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.945 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.728 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 7.9 m-85 -59.81 -29.68 68.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.775 174.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 90' ' ' ARG . 39.2 ttt180 -75.55 -34.38 60.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.068 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.8 t -82.1 -40.86 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.53 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.737 ' HA ' HG21 ' A' ' 108' ' ' VAL . 56.8 m-85 -77.9 17.08 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.496 . . . . 0.0 111.597 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 47.6 t0 -129.98 144.32 51.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -77.66 -26.7 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.414 0.626 . . . . 0.0 109.88 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -116.14 0.65 13.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.827 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.4 45.81 16.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.549 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -77.03 16.59 0.53 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.834 1.317 . . . . 0.0 112.175 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.1 66.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.885 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.728 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 63.4 m-85 -148.75 145.09 27.46 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 86.5 mt -110.08 100.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.598 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 23.1 t -99.51 163.21 12.6 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -53.63 -53.96 44.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.725 0.297 . . . . 0.0 111.029 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.603 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . . . -50.34 -49.12 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.111 175.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.884 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -58.65 -50.33 74.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.3 0.571 . . . . 0.0 109.683 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.766 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.5 tt -58.57 -48.09 82.06 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.914 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 1.022 ' HD2' HD11 ' A' ' 48' ' ' LEU . 50.8 mtt180 -74.22 -29.82 61.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.665 -174.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 41.8 m80 -80.24 -24.39 40.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.604 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.737 HG21 ' HA ' ' A' ' 92' ' ' PHE . 33.8 m -88.02 -25.58 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.833 0.825 . . . . 0.0 108.943 171.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.766 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 18.1 ttt -77.02 -73.31 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.748 -175.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 -26.68 2.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.077 0.465 . . . . 0.0 111.637 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.729 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.3 m120 -71.27 -172.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.72 120.69 21.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -173.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.878 0 CA-C-O 118.482 -1.176 . . . . 0.0 111.567 178.792 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.598 'CA ' ' OD1' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.611 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.882 0.372 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.99 134.25 33.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.198 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.4 mm? -71.97 0.57 9.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 52' ' ' ILE . 87.0 mt-30 -61.08 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.348 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.81 -48.9 79.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.218 0.532 . . . . 0.0 109.909 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt -61.1 -32.42 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.421 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 102' ' ' ALA . 79.3 mt -65.25 -45.92 92.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.968 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -66.88 -33.19 75.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.124 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.15 -42.86 18.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 111.351 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -78.0 -32.92 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.701 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 24.8 t0 -59.22 128.94 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.701 0.763 . . . . 0.0 111.423 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.92 -38.84 8.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.388 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -96.57 -17.04 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.614 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.6 20.37 64.07 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.996 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -81.26 -6.1 58.5 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 117.527 0.664 . . . . 0.0 111.632 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 7.26 55.86 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.526 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -159.64 170.07 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.515 . . . . 0.0 110.645 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -87.48 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.635 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.9 t70 -112.84 178.66 4.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 73.5 m-85 -55.75 -52.43 72.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 118.48 0.582 . . . . 0.0 111.448 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 11.7 Cg_endo -55.9 -44.4 47.76 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.056 1.837 . . . . 0.0 112.581 176.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.7 mt-10 -64.38 -53.17 52.79 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.477 ' HD1' HG21 ' A' ' 63' ' ' ILE . 44.0 t80 -58.17 -47.38 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.96 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -64.69 -45.03 88.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 88.1 m -65.82 -48.02 73.09 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.036 -175.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -32.86 74.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.007 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.2 tpp -74.23 -69.31 0.46 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.387 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -55.62 -15.36 2.86 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 70' ' ' THR . 33.8 ttt180 -41.3 -39.95 1.53 Allowed 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.57 0.544 . . . . 0.0 110.586 175.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 75' ' ' LYS . 19.0 ptmt -129.62 -43.44 1.26 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.389 173.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 tpt -112.23 116.45 30.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.087 -171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.517 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 19.5 tptm -110.54 115.98 30.58 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.608 170.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -134.76 0.55 2.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.766 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.82 150.02 23.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.243 1.021 . . . . 0.0 113.262 -171.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.55 -148.64 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.146 -1.843 . . . . 0.0 109.209 165.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -78.84 176.6 9.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.49 -164.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.4 tt0 -58.64 -25.88 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 16.7 mm-40 -52.61 -46.21 66.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 111.029 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -39.76 93.8 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.919 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 69' ' ' LEU . 47.9 mm -62.0 -39.61 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.921 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 80.2 mtp180 -62.04 -45.23 94.48 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.466 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.95 -27.5 67.51 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.56 69.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 20.6 m-85 -55.79 -35.89 66.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.591 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -64.61 -48.89 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.401 HG12 HG21 ' A' ' 108' ' ' VAL . 99.5 t -86.35 -33.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.871 -168.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.837 ' HA ' HG11 ' A' ' 108' ' ' VAL . 45.2 m-85 -83.3 14.8 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 111.193 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 1.044 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 14.9 t70 -127.06 148.4 50.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 99.5 mttt -63.2 -46.49 86.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.469 0.652 . . . . 0.0 110.512 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 13.1 p-10 -111.93 16.91 20.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.093 -172.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.51 37.42 3.63 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 4.1 p-10 -76.57 22.4 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.0 21.94 75.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.149 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -149.82 152.06 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 73.9 mt -115.51 112.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.052 0.454 . . . . 0.0 110.666 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.775 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.6 t -110.99 174.74 5.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.85 -54.19 17.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.587 0.232 . . . . 0.0 111.609 -175.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.41 30.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.263 0.554 . . . . 0.0 111.432 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 1.044 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -69.56 -39.27 77.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.007 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 47.1 mt -59.07 -46.63 87.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.898 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -66.61 -39.91 88.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.944 -177.307 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.972 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 7.5 t-80 -48.82 -51.91 26.96 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.823 0.702 . . . . 0.0 111.992 173.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.837 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.6 p -86.95 -40.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.526 -172.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -71.15 -69.57 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.768 -168.402 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -131.0 -40.14 1.18 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.816 ' HB2' ' HG3' ' A' ' 106' ' ' ARG . 16.2 m120 -93.47 -172.47 2.93 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.385 0.612 . . . . 0.0 111.708 -175.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.68 136.95 36.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.956 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.972 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.222 -1.321 . . . . 0.0 112.156 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.869 0.366 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.49 93.05 7.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.583 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD12 ' HB1' ' A' ' 102' ' ' ALA . 3.5 mm? -70.28 0.27 6.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -173.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 52' ' ' ILE . 53.4 tt0 -58.2 -35.24 71.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.155 0.502 . . . . 0.0 109.713 174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.11 -50.96 69.6 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.745 0.784 . . . . 0.0 109.67 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 tpp -63.73 -30.71 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.724 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 49' ' ' GLN . 75.7 mt -63.71 -43.55 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -69.15 -22.42 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.488 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -89.92 -27.76 19.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.2 -32.81 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -56.63 115.57 2.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 122.035 0.921 . . . . 0.0 111.593 179.093 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.649 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -99.33 -44.21 6.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.253 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.99 -17.07 28.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 87.04 17.6 59.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.728 -0.669 . . . . 0.0 113.63 175.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -89.17 4.58 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.346 0.573 . . . . 0.0 111.125 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.67 1.11 89.21 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.63 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' TYR . 12.7 t -142.6 156.62 45.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.946 0.403 . . . . 0.0 110.432 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.617 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -80.04 141.31 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.302 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.607 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 1.7 m-20 -112.52 172.2 7.06 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -176.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 95.8 m-85 -52.47 -51.26 74.58 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 118.322 0.51 . . . . 0.0 110.906 175.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 77.5 Cg_exo -52.98 -48.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.362 2.042 . . . . 0.0 112.897 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 49.8 mt-10 -65.92 -53.14 43.18 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' HD1' HG21 ' A' ' 63' ' ' ILE . 39.9 t80 -60.07 -44.99 94.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.396 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -61.64 -41.26 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.691 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.4 m -74.51 -38.88 62.71 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.608 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.31 -37.68 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.406 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 53.0 ttm -71.48 -68.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.107 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -52.28 -15.73 0.68 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -44.11 -51.66 7.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.018 0.437 . . . . 0.0 110.711 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -131.06 -20.01 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.223 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.542 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 4.4 mpp? -95.21 -177.28 4.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.204 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -66.04 149.15 50.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.113 0.482 . . . . 0.0 111.576 -176.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.76 136.77 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.769 ' HB ' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -95.65 171.99 8.33 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 122.034 0.921 . . . . 0.0 113.275 -171.091 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.4 -143.32 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.03 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -46.59 138.56 5.82 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.617 1.167 . . . . 0.0 112.502 -160.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.57 -26.1 68.41 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.038 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.8 -35.31 76.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.169 0.509 . . . . 0.0 110.717 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.01 -50.44 55.49 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.403 0.62 . . . . 0.0 109.483 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 79' ' ' THR . 30.8 mm -61.31 -34.91 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.08 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 71.2 ttt180 -60.75 -42.4 97.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.575 176.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.3 tt0 -69.3 -32.73 72.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.561 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.74 90.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.906 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.8 m-85 -56.75 -36.75 70.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -78.08 -25.74 47.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.959 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 87' ' ' GLU . 89.6 t -83.24 -38.95 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.914 0.388 . . . . 0.0 111.429 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.75 ' HA ' HG21 ' A' ' 108' ' ' VAL . 57.5 m-85 -79.16 15.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.497 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 37.3 t0 -125.46 144.83 50.35 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.855 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -73.41 -41.48 63.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.527 0.679 . . . . 0.0 110.599 175.234 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.68 0.6 24.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.676 -171.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.98 36.92 35.2 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.669 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -75.24 1.62 13.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.251 1.025 . . . . 0.0 112.218 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.96 42.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.486 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.6 m-85 -149.49 142.71 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.617 ' HB ' HG22 ' A' ' 63' ' ' ILE . 82.8 mt -110.26 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.367 0.603 . . . . 0.0 110.302 -173.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.773 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 12.7 m -101.64 176.5 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 48' ' ' LEU . . . -64.42 -54.2 36.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.8 -41.51 61.77 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.855 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 4.4 mm-40 -57.07 -46.56 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.341 0.591 . . . . 0.0 109.419 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.13 -51.37 68.15 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.034 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 26.6 ptt180 -58.58 -34.58 71.25 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -175.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 12.1 t60 -74.47 -41.56 60.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.339 0.59 . . . . 0.0 110.178 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 92' ' ' PHE . 17.5 m -86.52 -30.83 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.993 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.32 -74.71 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.73 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -132.33 -39.59 1.03 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.733 0.697 . . . . 0.0 112.549 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.7 m120 -72.27 -168.23 0.39 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 57.6 mt -38.68 109.78 0.11 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.974 0.909 . . . . 0.0 112.596 -173.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.235 -1.314 . . . . 0.0 111.09 179.808 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . 0.607 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . 0.596 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' HG2' ' H ' ' A' ' 49' ' ' GLN . 39.3 tt0 -115.08 150.06 36.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 52' ' ' ILE . 8.1 mp -74.01 4.97 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 52' ' ' ILE . 34.7 tt0 -51.82 -36.83 49.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.515 0.198 . . . . 0.0 111.358 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.63 -48.18 82.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.185 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.5 tpp -58.31 -36.55 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.444 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.717 HG12 ' HB3' ' A' ' 102' ' ' ALA . 55.8 mt -60.71 -40.16 83.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.006 0.432 . . . . 0.0 109.838 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -76.17 -24.77 54.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.154 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -46.43 12.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 -177.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.14 -31.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.036 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 16.1 t0 -61.96 127.28 30.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.68 -30.37 12.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.445 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -106.95 -15.83 14.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.022 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.31 71.46 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.63 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.63 -3.04 45.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.358 0.579 . . . . 0.0 111.247 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.51 3.22 58.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.638 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.6 t -160.8 177.44 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.975 0.417 . . . . 0.0 110.312 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.37 138.85 19.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 167.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 8.0 t0 -110.89 176.04 5.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 76.8 m-85 -53.24 -51.8 71.98 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 118.602 0.637 . . . . 0.0 111.512 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.0 Cg_endo -56.72 -47.85 21.52 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.139 1.893 . . . . 0.0 112.38 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.2 mt-10 -61.5 -49.3 77.29 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.337 -178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 57.0 t80 -59.03 -51.13 71.4 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.921 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -62.78 -43.63 98.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -68.76 -43.24 76.21 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.679 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -70.33 -28.86 65.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.968 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpt -74.47 -68.92 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 78' ' ' ASP . . . -52.89 -14.54 0.58 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -44.15 -51.35 8.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.562 0.539 . . . . 0.0 110.317 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -129.93 -25.25 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.246 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.506 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 1.9 mpt? -96.13 -174.03 2.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.563 -175.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.496 ' CE ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -43.29 137.02 2.81 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.254 -0.884 . . . . 0.0 113.3 178.135 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 26.1 t70 -93.64 11.37 29.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.446 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.496 ' HB ' ' CE ' ' A' ' 77' ' ' LYS . 60.8 m -58.22 110.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.406 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' OD1' ' HG ' ' A' ' 69' ' ' LEU . 34.7 t70 -119.3 80.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 109.958 172.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 85' ' ' ILE . 4.4 p -112.02 108.79 18.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 167.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 32.1 tt0 -57.83 -36.9 72.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.503 -164.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.72 93.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.109 0.413 . . . . 0.0 111.13 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -69.45 -38.78 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.626 0.727 . . . . 0.0 109.308 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 69' ' ' LEU . 47.3 mm -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.25 176.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.2 mtp180 -63.9 -36.17 83.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.75 -41.82 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.232 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -68.91 -42.62 76.6 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.176 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' HA ' HD11 ' A' ' 100' ' ' ILE . 7.1 m-85 -54.08 -32.99 56.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.724 0.297 . . . . 0.0 111.607 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.53 -36.67 52.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.439 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 88' ' ' ALA . 1.1 p -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' HA ' HG11 ' A' ' 108' ' ' VAL . 27.0 m-85 -85.35 13.25 6.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.244 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 1.017 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.8 t70 -134.11 151.08 51.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -73.13 -41.94 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.54 0.685 . . . . 0.0 110.242 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -3.25 44.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.94 -173.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.96 7.48 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.184 -0.462 . . . . 0.0 113.547 -171.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.472 HD21 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -76.76 23.01 0.17 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.23 21.29 79.84 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.02 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 97' ' ' ASN . 68.8 m-85 -147.92 147.78 30.09 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 70.7 mt -111.96 103.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.212 0.529 . . . . 0.0 110.375 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.663 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 3.7 m -95.18 164.17 12.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.17 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.717 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -58.32 -54.42 47.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -53.46 -25.86 17.98 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 1.017 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -74.24 -35.34 63.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.819 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 102' ' ' ALA . 2.0 mm? -55.84 -42.61 76.01 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 5.8 ptt180 -72.73 -36.82 67.84 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.856 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.664 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 70.5 t60 -53.91 -49.71 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.618 173.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 92' ' ' PHE . 6.0 p -85.71 -50.56 14.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.432 ' N ' HG13 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -68.01 -72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.828 -163.162 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -40.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -177.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.535 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 6.5 m-20 -75.06 -168.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 92.6 mt -48.28 123.56 6.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.914 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.964 -178.717 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 120.853 0.359 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 9.6 tp10 -86.77 114.14 23.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD21 ' HD3' ' A' ' 106' ' ' ARG . 42.1 mt -67.52 -31.57 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.657 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.81 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.599 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 12.2 t70 -60.32 -53.39 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.589 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.33 -39.83 89.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.251 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.75 HG13 ' HB3' ' A' ' 102' ' ' ALA . 54.7 mt -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.1 0.476 . . . . 0.0 110.125 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.09 -24.65 59.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.438 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -81.5 -38.77 25.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.2 t -77.14 -30.3 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -55.69 107.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -97.66 -46.45 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.949 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -120.38 -3.18 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.295 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.95 78.88 1.21 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.206 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' THR . 7.0 m120 -127.93 -24.68 3.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.317 -0.942 . . . . 0.0 110.552 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 4.77 58.24 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 99' ' ' TYR . 94.7 m -158.08 169.58 24.21 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.034 -1.583 . . . . 0.0 107.814 -169.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.637 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.8 tt -90.5 144.69 8.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 171.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.6 t0 -111.41 171.05 7.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.823 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 86.0 m-85 -54.01 -53.06 62.49 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 118.642 0.655 . . . . 0.0 112.04 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.7 Cg_endo -57.97 -42.82 54.34 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.047 1.832 . . . . 0.0 112.228 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.874 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 6.1 mt-10 -70.89 -41.3 71.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.583 ' HD1' HG21 ' A' ' 63' ' ' ILE . 60.4 t80 -58.91 -47.51 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.207 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.5 mt -68.37 -37.1 80.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.878 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -74.51 -43.35 56.31 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.35 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 mmt -59.19 -34.66 72.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 76' ' ' MET . 55.0 ttm -69.67 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.927 174.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.656 ' HB2' ' HE3' ' A' ' 77' ' ' LYS . . . -54.56 -15.42 1.75 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -40.4 -48.22 2.69 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.844 0.715 . . . . 0.0 110.501 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -129.53 -41.37 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.113 170.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.465 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.7 mmt -107.14 117.43 34.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -167.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.656 ' HE3' ' HB2' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -109.3 115.66 30.4 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.294 170.627 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -165.18 81.11 0.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.652 HG22 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -119.12 170.47 9.04 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.969 0.89 . . . . 0.0 112.562 -169.046 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -101.13 -168.93 1.63 Allowed 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 113.885 -1.507 . . . . 0.0 107.738 161.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.773 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 33.7 t -59.62 146.9 39.28 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 30.9 tt0 -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.638 0.256 . . . . 0.0 110.757 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.38 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.773 ' HG2' ' HB3' ' A' ' 81' ' ' SER . 21.0 mm-40 -65.05 -34.71 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.641 175.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.652 HD11 HG22 ' A' ' 79' ' ' THR . 43.6 mm -63.22 -38.31 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.614 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.823 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 80.9 mtt180 -65.31 -40.65 94.05 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.8 0.81 . . . . 0.0 110.027 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . 39.1 tt0 -68.21 -31.59 71.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.584 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.58 82.76 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.108 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.612 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.1 m-85 -56.97 -35.01 68.65 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -74.6 -30.84 61.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.8 t -82.67 -44.69 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.539 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' C ' HG21 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.3 18.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.9 0.48 . . . . 0.0 112.175 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.979 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 38.4 t0 -123.65 142.49 51.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.797 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 96.1 mttt -65.32 -44.3 88.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.865 0.841 . . . . 0.0 109.83 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.74 -0.1 25.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.585 -173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.91 44.61 31.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 115.209 0.844 . . . . 0.0 115.209 -175.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.425 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -76.41 15.48 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.714 1.257 . . . . 0.0 112.397 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 22.81 57.27 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.04 174.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.612 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.5 m-85 -154.24 154.32 33.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -176.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.637 ' HB ' HG22 ' A' ' 63' ' ' ILE . 65.1 mt -116.78 102.1 13.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 0.0 111.2 -176.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.731 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 2.0 m -92.46 159.38 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 175.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -53.03 -50.93 63.27 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.106 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.85 -50.45 56.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.854 175.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.979 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.0 mm-40 -58.85 -47.94 83.11 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.917 0.865 . . . . 0.0 109.372 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.22 -42.9 92.11 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.054 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.866 ' HG3' ' HB3' ' A' ' 111' ' ' ASN . 2.9 ptt180 -67.51 -41.87 83.73 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.21 -175.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.564 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 33.5 t-80 -50.66 -46.12 58.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.337 0.589 . . . . 0.0 111.6 173.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 2.4 t -88.11 -43.52 15.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.473 0.654 . . . . 0.0 111.869 -174.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -71.3 0.25 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.201 -170.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 t -124.35 -40.14 2.27 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.866 ' HB3' ' HG3' ' A' ' 106' ' ' ARG . 9.4 t-20 -80.22 -172.35 3.44 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.538 -0.101 . . . . 0.0 110.864 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 89.5 mt -59.87 125.94 25.61 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.008 0.433 . . . . 0.0 111.768 -172.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.915 -0.936 . . . . 0.0 111.457 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 52' ' ' ILE . 83.3 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.366 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 52' ' ' ILE . 59.0 tt0 -59.84 -34.86 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.09 -35.03 76.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.244 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.6 tpp -68.48 -35.73 77.94 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 70.3 mt -60.51 -37.8 76.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -75.07 -26.05 59.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.588 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.57 -25.67 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -86.37 -31.91 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.196 0.522 . . . . 0.0 110.201 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.579 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 29.0 t70 -55.61 114.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.221 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.52 -38.3 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.561 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -116.03 -11.39 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.87 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 102.14 8.91 43.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.375 -0.917 . . . . 0.0 114.999 176.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -80.16 -5.8 56.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.339 1.07 . . . . 0.0 110.923 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.87 -0.42 82.6 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.813 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -143.56 155.14 44.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.5 140.63 16.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.639 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 9.3 t0 -111.12 175.36 5.45 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 177.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 85.1 m-85 -55.29 -51.37 80.4 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 118.61 0.641 . . . . 0.0 111.657 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 48.6 Cg_exo -57.79 -44.04 44.26 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.11 1.873 . . . . 0.0 112.188 176.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.639 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.6 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.338 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 66.8 t80 -56.59 -45.97 81.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.25 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -66.43 -38.76 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.899 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -74.72 -45.98 40.54 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.161 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.91 0.385 . . . . 0.0 110.926 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.76 -69.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.911 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.2 -13.8 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 . . . . . 0 C--N 1.334 -0.107 0 O-C-N 123.811 0.694 . . . . 0.0 110.868 178.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 27.5 mt-10 -55.88 -54.19 47.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.999 173.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.63 -40.97 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.591 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 39.3 mm -64.98 -39.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.729 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 21.3 ttm180 -67.22 -39.67 86.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.1 mm-40 -59.01 -40.82 86.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.736 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -60.36 -43.55 96.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.856 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.593 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 15.6 m-85 -55.86 -44.93 78.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -76.17 -24.3 54.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.279 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.471 HG12 HG21 ' A' ' 108' ' ' VAL . 30.6 t -78.03 -49.99 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.642 ' HA ' HG11 ' A' ' 108' ' ' VAL . 12.0 m-85 -62.77 -48.66 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.688 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.895 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.2 t70 -64.26 149.2 48.52 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.522 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.31 -40.07 71.04 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.17 1.73 42.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.492 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.09 32.99 13.24 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.899 -0.591 . . . . 0.0 113.942 -171.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.06 19.94 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 117.988 0.894 . . . . 0.0 113.194 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.4 22.6 64.6 Favored Glycine 0 C--O 1.228 -0.236 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.229 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 93' ' ' ASP . 55.0 m-85 -148.5 153.36 38.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.653 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.0 mt -118.17 107.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.929 0.395 . . . . 0.0 110.471 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 21.9 t -104.24 173.69 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.213 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 105' ' ' LEU . . . -63.88 -53.35 51.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.663 0.268 . . . . 0.0 111.344 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.41 -39.68 57.75 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.967 0.413 . . . . 0.0 111.669 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.895 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.0 mm-40 -66.94 -39.23 87.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.001 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 109' ' ' MET . 21.0 mt -52.82 -44.78 66.93 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.776 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 49.8 mtt180 -71.19 -36.71 72.03 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.463 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 104' ' ' GLU . 22.3 t60 -49.29 -52.83 25.16 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.357 0.599 . . . . 0.0 111.555 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.7 p -86.89 -38.73 12.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.22 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.683 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.0 ttt -71.31 -71.69 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.402 -169.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -128.13 -34.07 2.14 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 5.5 t30 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 103' ' ' ALA . 3.1 mm? . . . . . 0 C--O 1.223 -0.326 0 CA-C-O 120.19 0.043 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 110.291 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.5 -48.75 79.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.626 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.48 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 12.6 tpt -67.79 -31.96 72.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.668 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.608 HG13 ' HB3' ' A' ' 102' ' ' ALA . 70.6 mt -62.68 -46.07 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 53' ' ' ASN . 12.0 m120 -62.52 -31.02 71.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.994 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -81.48 -31.39 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.84 -31.16 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.48 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 28.2 t0 -60.36 87.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.624 0.726 . . . . 0.0 112.247 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.41 -40.53 50.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.782 -1.099 . . . . 0.0 113.057 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.569 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 39.1 m-20 -89.66 -18.55 26.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.206 -177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 93.37 3.4 65.01 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.369 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.569 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 5.6 p-10 -77.21 -0.21 24.28 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.85 84.42 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.039 -0.601 . . . . 0.0 113.363 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 60' ' ' ASN . 5.5 t -159.65 163.79 34.61 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -82.01 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.428 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -111.53 175.58 5.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 81.7 m-85 -53.54 -51.29 77.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 52.5 Cg_exo -58.25 -41.58 65.19 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.735 1.623 . . . . 0.0 112.38 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.689 ' HB3' HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.92 -54.21 45.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HA ' HD13 ' A' ' 63' ' ' ILE . 51.7 t80 -57.62 -45.05 85.86 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.91 -176.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.561 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -76.06 -42.08 48.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.872 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -64.17 -31.4 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.309 175.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.93 -67.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.82 -15.31 0.71 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.3 tpm_? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 6.6 pt-20 -64.29 -46.68 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 15.6 tp10 -68.88 -39.12 79.96 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.9 mm -67.32 -39.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 7.4 tmm_? -63.98 -41.42 97.53 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.249 0.547 . . . . 0.0 109.783 176.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -67.32 -33.4 75.19 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.582 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.427 ' O ' ' HD2' ' A' ' 92' ' ' PHE . . . -65.63 -40.46 92.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 175.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 100' ' ' ILE . 8.5 m-85 -55.28 -41.15 71.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 68.6 mtp180 -73.06 -29.95 63.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.337 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.9 t -78.83 -49.52 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.491 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' HA ' HG11 ' A' ' 108' ' ' VAL . 55.8 m-85 -63.04 -44.31 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 0.0 110.784 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.876 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.6 t0 -65.24 142.49 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.545 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -87.74 -31.28 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.389 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.63 -4.97 23.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.615 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 53.56 38.36 58.18 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.004 -0.998 . . . . 0.0 115.126 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.506 HD21 ' HB2' ' A' ' 99' ' ' TYR . 3.3 p-10 -73.53 -1.91 20.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.937 1.369 . . . . 0.0 112.033 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.22 22.28 27.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.614 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.506 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.6 m-85 -151.07 143.62 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.664 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 69.3 mt -108.25 103.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.542 0.687 . . . . 0.0 111.122 -171.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.748 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 15.1 m -103.17 176.36 5.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.496 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -60.59 -54.43 45.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -49.91 -42.29 47.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.876 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -62.09 -46.46 88.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' ' HB2' ' A' ' 109' ' ' MET . 43.7 mt -61.36 -51.38 69.04 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.071 -176.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.699 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 9.7 mtp85 -69.26 -22.37 63.84 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.935 -176.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -73.93 -38.93 64.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.52 0.676 . . . . 0.0 109.822 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -87.71 -32.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.466 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.618 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.8 tmm? -81.02 -74.89 0.3 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.692 -166.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' SD ' ' A' ' 109' ' ' MET . 9.8 p -132.0 -28.57 1.74 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.355 0.98 . . . . 0.0 112.715 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 14.0 m120 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.955 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 52' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.468 0.175 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.98 -36.18 83.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.401 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.63 -40.31 88.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.573 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 1.1 tpt -66.27 -33.62 76.15 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 79.2 mt -65.27 -44.2 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.633 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -34.64 68.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.212 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.02 -34.58 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.594 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 63' ' ' ILE . 1.2 p -94.19 -30.56 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 0.0 111.785 -171.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.09 89.36 0.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.401 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.677 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -80.29 -42.81 22.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.646 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.14 -19.04 44.37 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.817 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.01 10.33 75.46 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.084 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.463 HD21 ' CG ' ' A' ' 64' ' ' ASP . 32.6 p-10 -85.57 -2.66 58.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.857 0.36 . . . . 0.0 111.395 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 12.92 69.58 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.821 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 t -157.83 151.74 24.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.33 139.78 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.474 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 3.0 m-20 -114.31 -179.02 3.51 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 70.6 m-85 -54.89 -50.08 88.2 Favored Pre-proline 0 C--N 1.317 -0.829 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.08 173.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.52 -54.17 5.35 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.075 1.85 . . . . 0.0 112.981 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 36.4 mt-10 -61.91 -50.5 71.93 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HD1' HG21 ' A' ' 63' ' ' ILE . 36.7 t80 -59.91 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 -173.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 85' ' ' ILE . 4.2 mm? -69.47 -47.09 65.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.3 m -69.92 -44.51 69.48 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -67.66 -22.82 65.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.489 175.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 50.2 ttm -68.21 -68.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 170.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.18 -15.78 1.71 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.726 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.504 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 61.8 ttt180 . . . . . 0 C--N 1.33 -0.275 0 O-C-N 123.682 0.614 . . . . 0.0 110.402 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.235 0.319 0 CA-C-O 121.319 0.581 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.28 -38.98 88.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.71 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.47 -36.25 78.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.188 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.547 HG21 HD21 ' A' ' 69' ' ' LEU . 47.7 mm -64.95 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.515 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 97.9 mtt180 -65.59 -35.87 82.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.108 0.48 . . . . 0.0 110.346 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.6 mm-40 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.84 70.65 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.105 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.8 m-85 -55.78 -35.09 65.89 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.432 0.634 . . . . 0.0 110.419 173.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 75.7 ttt180 -69.97 -36.06 74.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.394 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.3 t -88.47 -26.56 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' C ' HG11 ' A' ' 108' ' ' VAL . 37.6 m-85 -86.15 15.75 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.341 0.591 . . . . 0.0 110.812 178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.877 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 49.1 t0 -130.21 145.73 51.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 78.3 mttt -70.67 -35.84 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.734 0.778 . . . . 0.0 109.337 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.48 1.94 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 112.383 -172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.41 48.85 6.99 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.631 -0.713 . . . . 0.0 114.837 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.7 p-10 -76.36 3.62 10.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.573 1.186 . . . . 0.0 111.759 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.57 21.46 31.6 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.275 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 97' ' ' ASN . 64.7 m-85 -149.8 145.14 26.44 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.558 ' HB ' HG22 ' A' ' 63' ' ' ILE . 74.7 mt -110.09 102.47 14.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.229 0.538 . . . . 0.0 109.923 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.9 t -101.24 166.01 10.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.42 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.749 0.309 . . . . 0.0 110.736 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.89 -48.7 42.11 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.841 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.877 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.9 mm-40 -60.13 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.86 -48.21 82.16 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.317 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HD2' HD11 ' A' ' 48' ' ' LEU . 85.4 mtt180 -70.11 -57.38 5.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -173.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.592 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 5.3 t-80 -57.05 -35.83 69.8 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.41 0.444 . . . . 0.0 111.642 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG11 ' C ' ' A' ' 92' ' ' PHE . 2.2 p -84.43 -43.19 17.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.38 -174.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.11 -71.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -130.59 -43.05 1.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.592 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 13.1 m120 . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 111.175 -167.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 52' ' ' ILE . 41.0 mt . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.51 -39.7 81.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 109.906 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.83 -43.89 97.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.75 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.2 tpt -61.64 -32.72 72.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.414 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 48' ' ' LEU . 77.6 mt -65.93 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.464 0.65 . . . . 0.0 109.452 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.01 -22.77 58.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.674 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.96 -30.11 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.089 0.471 . . . . 0.0 110.677 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -79.4 -32.92 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.05 119.49 8.44 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 122.174 0.988 . . . . 0.0 111.214 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.96 -40.46 7.64 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.108 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -100.2 -19.96 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.862 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.99 76.17 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.826 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -145.54 -14.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.679 -0.76 . . . . 0.0 111.498 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 0.3 54.37 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.843 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -161.01 -177.1 5.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.788 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.62 142.9 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 165.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 27.4 t0 -111.82 177.16 4.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.661 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 65.4 m-85 -55.08 -55.93 33.69 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 118.521 0.6 . . . . 0.0 111.842 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.0 Cg_exo -56.04 -39.93 88.12 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.064 1.843 . . . . 0.0 112.695 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 44.0 mt-10 -63.17 -52.48 62.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.296 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HA ' HD13 ' A' ' 63' ' ' ILE . 67.9 t80 -59.99 -50.01 75.41 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.07 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -57.56 -41.32 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 27.3 m -73.73 -41.69 62.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.678 -176.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.7 mmt -75.59 -25.88 57.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttt -71.8 -68.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.85 -14.07 0.88 Allowed 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 70' ' ' THR . 29.1 tpt180 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 109.994 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.521 -0.167 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.53 -43.57 96.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.221 0.534 . . . . 0.0 110.828 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.3 -28.08 61.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.567 HG21 HD21 ' A' ' 69' ' ' LEU . 45.1 mm -71.48 -35.4 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -61.13 -36.8 80.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.288 0.566 . . . . 0.0 109.864 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 3.3 tp10 -71.49 -27.69 63.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.093 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -72.34 -44.29 62.84 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.841 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 18.0 m-85 -56.09 -32.32 64.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.089 0.471 . . . . 0.0 110.611 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 58.4 ttt180 -76.63 -36.15 57.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.827 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.5 p -86.74 -25.46 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.984 -176.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.408 ' C ' HG11 ' A' ' 108' ' ' VAL . 36.0 m-85 -91.29 15.57 11.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.002 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.758 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 48.5 t0 -130.69 143.78 50.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.104 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 107' ' ' HIS . 2.6 mtpm? -69.03 -37.4 78.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.483 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.21 2.05 13.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.995 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.543 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.39 50.03 6.76 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.96 21.47 0.32 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.775 1.288 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.75 21.48 78.54 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.191 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.482 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.7 m-85 -152.52 147.11 25.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 79.8 mt -109.97 103.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.217 0.532 . . . . 0.0 110.666 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.76 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 8.0 m -101.21 163.17 12.41 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -57.68 -53.71 55.11 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -50.64 -41.89 55.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.706 175.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.76 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 2.1 mm-40 -63.19 -46.12 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 9.7 mt -55.52 -48.3 74.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.824 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 48' ' ' LEU . 68.8 mtt180 -78.97 -53.85 6.62 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.522 -173.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -53.38 -38.17 63.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.864 -176.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 104' ' ' GLU . 7.6 p -85.36 -45.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.895 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -74.52 -60.51 2.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.532 -170.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 m -124.65 -37.39 2.49 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.851 -0.531 . . . . 0.0 112.17 -173.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -173.793 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD21 ' HD2' ' A' ' 106' ' ' ARG . 75.8 mt . . . . . 0 C--O 1.226 -0.155 0 CA-C-O 120.416 0.151 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 8.9 tp-100 -68.32 -41.12 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.316 175.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -64.14 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 110.339 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.657 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.3 tpt -67.08 -31.64 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.697 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 48' ' ' LEU . 74.0 mt -63.34 -46.77 94.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.38 -24.77 66.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.789 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.6 -35.94 57.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 0.0 110.543 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -97.47 -31.05 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.289 -170.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -70.99 81.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.977 0.894 . . . . 0.0 112.014 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -76.16 -39.33 55.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.205 -1.361 . . . . 0.0 112.44 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -90.18 -19.52 24.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.121 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 7.04 52.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.664 -0.779 . . . . 0.0 114.588 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 ' CG ' ' A' ' 64' ' ' ASP . 20.0 p30 -80.8 -8.89 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.249 1.025 . . . . 0.0 111.587 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.51 15.71 45.79 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 t -159.23 160.31 35.2 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.684 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.1 tt -80.55 144.05 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.646 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.8 m-20 -115.28 177.96 4.46 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.2 m-85 -58.93 -51.67 80.24 Favored Pre-proline 0 C--N 1.32 -0.682 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.41 172.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 84.5 Cg_exo -50.22 -52.15 9.52 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.103 1.869 . . . . 0.0 112.671 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.646 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 58.9 mt-10 -64.01 -54.65 30.94 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.507 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 63' ' ' ILE . 57.9 t80 -60.98 -49.01 79.2 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.374 0.131 . . . . 0.0 111.095 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 69' ' ' LEU . 3.6 mm? -59.19 -42.82 91.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.4 m -75.23 -43.41 51.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.142 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.795 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 96.3 mmm -66.69 -27.96 68.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.346 0.259 . . . . 0.0 111.019 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.4 ttt -68.5 -66.65 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.68 -14.91 0.14 Allowed 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.795 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 22.5 mmt180 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 121.323 0.583 . . . . 0.0 109.692 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 7.1 mp0 -59.45 -49.52 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.56 . . . . 0.0 110.284 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.556 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.0 mm -67.76 -35.6 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.817 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 86' ' ' ARG . 32.5 ttp180 -70.87 -37.6 73.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.775 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.2 mt-10 -68.23 -29.4 68.21 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -65.48 -41.38 93.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HA ' HD11 ' A' ' 100' ' ' ILE . 10.5 m-85 -53.83 -46.69 71.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.483 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 90' ' ' ARG . 3.0 ptm180 -73.85 -26.12 60.41 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.138 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.1 t -80.12 -48.67 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HA ' HG11 ' A' ' 108' ' ' VAL . 26.2 m-85 -60.45 -40.73 92.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.917 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.9 t70 -63.43 139.48 58.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.07 0.462 . . . . 0.0 111.306 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -78.58 -34.58 46.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.676 -176.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -93.99 3.7 54.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.577 179.065 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.66 29.57 25.62 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-O 119.616 -0.547 . . . . 0.0 114.002 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.9 0.64 23.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.249 1.025 . . . . 0.0 112.91 -174.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.95 -22.18 42.11 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 114.392 170.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.07 159.56 15.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 117.13 0.465 . . . . 0.0 110.588 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.684 ' HB ' HG22 ' A' ' 63' ' ' ILE . 50.0 mt -112.29 102.26 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 110.543 -177.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.873 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 14.7 m -94.85 -179.9 5.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 174.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -65.73 -56.56 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -51.48 -31.77 24.76 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.141 0.496 . . . . 0.0 111.844 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.917 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.2 mm-40 -62.78 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.1 mm? -52.12 -48.31 64.87 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.074 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.689 ' HD2' HD21 ' A' ' 48' ' ' LEU . 36.6 mtt180 -69.57 -43.08 73.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.431 -173.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -49.32 -48.52 46.33 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.373 0.606 . . . . 0.0 111.37 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HA ' ' A' ' 92' ' ' PHE . 10.0 p -85.59 -35.49 9.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 -172.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.604 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.11 -73.87 0.29 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.675 -170.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 t -132.05 -14.57 3.05 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 10.9 m120 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 106' ' ' ARG . 81.9 mt . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.97 -33.82 73.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.443 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -56.15 -53.15 60.57 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.4 -30.8 70.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.243 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 48' ' ' LEU . 80.1 mt -64.18 -48.87 83.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -28.74 67.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.922 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -81.57 -46.47 14.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.585 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.0 t -83.25 -31.17 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 25.7 t0 -69.77 79.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.307 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.94 67.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.34 -1.3 . . . . 0.0 113.278 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -100.82 -17.7 16.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.682 0.277 . . . . 0.0 111.653 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 96.69 4.59 59.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.352 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -79.75 -5.26 54.93 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.316 0.558 . . . . 0.0 111.338 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 90.32 9.82 64.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.269 173.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 169.42 23.4 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.228 0.537 . . . . 0.0 110.156 -172.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.1 139.77 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 169.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.563 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 51.8 t0 -111.96 177.75 4.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 75.7 m-85 -54.25 -50.87 82.28 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 118.161 0.437 . . . . 0.0 112.142 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 42.8 Cg_exo -57.9 -43.58 47.76 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.795 1.663 . . . . 0.0 112.249 175.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.8 mt-10 -62.25 -52.78 62.37 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 63' ' ' ILE . 22.3 t80 -58.24 -49.51 76.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.427 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 69' ' ' LEU . 7.9 mt -66.11 -39.1 89.67 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.651 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -71.38 -48.7 48.3 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.87 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 74' ' ' ARG . 22.9 mmt -66.56 -32.89 74.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.447 0.299 . . . . 0.0 111.7 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.9 ttm -63.38 -68.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 -15.5 9.35 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' MET . 77.4 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 110.701 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.234 0.268 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.14 -37.14 84.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.0 111.416 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.68 -35.91 81.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 21.1 mm -71.93 -33.99 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -61.82 -40.86 96.73 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 110.111 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.9 mm-40 -73.0 -26.22 61.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.676 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.484 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -69.5 -44.98 69.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 22.0 m-85 -56.43 -38.98 72.33 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.475 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -72.6 -32.96 66.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.702 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 87' ' ' GLU . 35.4 t -80.69 -48.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.544 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.739 ' HA ' HG11 ' A' ' 108' ' ' VAL . 48.3 m-85 -63.6 -42.17 98.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 110.355 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.865 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.8 t0 -65.32 142.83 58.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.03 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HB3' ' CG ' ' A' ' 107' ' ' HIS . 14.9 pttp -88.49 -25.98 22.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.77 -2.14 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.07 37.44 54.14 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.454 -0.794 . . . . 0.0 114.998 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.652 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -74.23 2.73 8.48 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.822 1.311 . . . . 0.0 111.634 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.43 22.76 33.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.533 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.652 ' HB2' HD21 ' A' ' 97' ' ' ASN . 52.5 m-85 -149.26 148.12 29.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 79.4 mt -113.45 105.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.23 0.538 . . . . 0.0 110.878 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.674 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -109.05 178.92 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.669 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -62.41 -54.32 41.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.736 0.303 . . . . 0.0 111.626 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.52 41.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.707 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.865 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.4 mm-40 -61.1 -48.06 83.42 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 109' ' ' MET . 12.4 mt -54.38 -49.91 68.76 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.16 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.9 mtt180 -65.67 -45.74 81.74 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.09 -175.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.622 ' CG ' ' HB3' ' A' ' 94' ' ' LYS . 17.3 t60 -49.96 -42.27 48.32 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.418 0.449 . . . . 0.0 111.67 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.739 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -85.7 -34.05 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.506 0.67 . . . . 0.0 110.52 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tpt -77.4 -74.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.384 -167.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.6 t -133.16 -10.26 2.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.639 -0.663 . . . . 0.0 112.658 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 3.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.482 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HG3' ' A' ' 106' ' ' ARG . 3.0 mm? . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.484 0.183 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.16 -32.42 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.178 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.62 -49.95 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.0 tpt -67.21 -33.81 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.721 HG13 ' HB3' ' A' ' 102' ' ' ALA . 71.8 mt -61.84 -44.37 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.078 0 CA-C-O 121.512 0.673 . . . . 0.0 109.574 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.37 -38.12 84.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.127 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.9 -36.68 72.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.209 0.528 . . . . 0.0 111.001 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 63' ' ' ILE . 43.2 t -92.46 -30.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.683 -168.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -57.58 122.13 11.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.74 -28.45 15.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.38 -170.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -112.49 -4.12 14.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.347 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.75 73.31 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.276 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -85.39 4.1 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 -4.91 57.59 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.878 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -160.2 176.0 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.295 0.569 . . . . 0.0 110.696 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.79 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.2 mt -93.79 139.08 18.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -108.68 174.73 5.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 63.2 m-85 -53.71 -52.52 66.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.018 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 75.8 Cg_exo -52.7 -50.58 13.56 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.093 1.862 . . . . 0.0 112.615 173.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.601 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.06 -51.48 69.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 48.1 t80 -57.89 -49.17 77.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.633 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 85' ' ' ILE . 4.3 mm? -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.808 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.7 m -69.37 -45.59 68.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.591 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 93.2 mmm -71.16 -18.88 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.442 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 20.9 ttt -73.06 -68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.71 -16.98 1.11 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.517 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.591 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 15.8 tpt180 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.529 0.681 . . . . 0.0 109.38 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 45.2 mt-10 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -56.14 -51.92 66.2 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.47 -39.33 91.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.884 0.374 . . . . 0.0 110.019 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 69' ' ' LEU . 38.2 mm -65.1 -38.36 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.513 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 20.4 mmm180 -60.77 -43.87 97.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 7.6 tp10 -68.63 -31.5 70.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.204 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.2 58.46 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.671 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.0 m-85 -57.04 -30.54 64.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.159 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 57.9 ttt180 -77.02 -33.94 57.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.939 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' GLU . 77.4 t -86.72 -37.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.99 0.424 . . . . 0.0 111.572 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 108' ' ' VAL . 28.5 m-85 -79.25 14.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.464 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.907 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.9 t0 -131.68 150.11 52.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.758 ' HG2' ' HB2' ' A' ' 107' ' ' HIS . 83.1 mttt -71.64 -37.57 70.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.787 0.803 . . . . 0.0 109.627 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.09 -1.06 12.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.145 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.2 46.12 15.71 Favored Glycine 0 CA--C 1.523 0.539 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.942 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.574 HD22 ' HD2' ' A' ' 99' ' ' TYR . 3.6 p-10 -75.69 18.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.816 1.308 . . . . 0.0 112.648 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.27 78.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.914 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.574 ' HD2' HD22 ' A' ' 97' ' ' ASN . 83.3 m-85 -147.59 137.98 23.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 75.8 mt -109.22 102.42 13.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.314 0.578 . . . . 0.0 110.63 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.533 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 26.5 t -110.43 166.26 11.13 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.721 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -65.37 -14.31 60.55 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 -168.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.13 -37.38 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.907 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.0 mm-40 -61.69 -38.18 86.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.797 174.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.614 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.2 mm? -54.24 -44.14 71.5 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.696 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 48' ' ' LEU . 32.4 mmt180 -59.21 -48.95 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.758 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 51.6 t-80 -49.27 -50.18 40.11 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.652 0.595 . . . . 0.0 112.417 177.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.511 ' CB ' ' HA ' ' A' ' 92' ' ' PHE . 8.7 p -84.41 -35.0 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.266 0.555 . . . . 0.0 111.357 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.614 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 4.7 tmm? -81.09 -72.68 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.102 -167.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 p -129.53 -25.93 2.57 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 62.1 t30 . . . . . 0 C--N 1.321 -0.67 0 O-C-N 122.214 -0.304 . . . . 0.0 111.057 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? . . . . . 0 C--O 1.226 -0.134 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.53 -50.42 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.181 0.446 . . . . 0.0 110.307 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.95 -34.26 77.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.285 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.3 tpp -66.42 -30.93 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.25 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 48' ' ' LEU . 84.3 mt -63.27 -44.95 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -66.8 -25.21 66.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.563 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.61 -41.78 13.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 111.657 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -88.6 -32.26 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -172.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.91 124.57 20.59 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.129 0.49 . . . . 0.0 109.872 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.43 -29.9 13.67 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.435 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -113.34 -13.13 12.93 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.362 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.93 20.09 63.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.997 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -79.08 -2.18 39.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.526 0.663 . . . . 0.0 111.498 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.5 2.44 61.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.138 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -159.13 178.16 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.157 0.503 . . . . 0.0 110.757 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.801 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -93.77 140.21 16.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.286 169.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.579 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.4 t70 -111.96 172.48 6.88 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.541 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 51.2 m-85 -54.03 -48.41 94.1 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 118.749 0.704 . . . . 0.0 111.672 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.9 Cg_endo -55.77 -46.28 32.8 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.333 2.022 . . . . 0.0 112.638 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.3 mt-10 -61.1 -53.66 54.29 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 -176.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 24.7 t80 -58.89 -47.55 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -176.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.6 mt -67.74 -44.75 76.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.217 -177.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -73.85 -43.39 58.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.179 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.13 -30.28 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.755 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.0 ttm -64.53 -68.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.21 -16.83 5.92 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 . . . . . 0 C--N 1.331 -0.234 0 O-C-N 123.818 0.699 . . . . 0.0 111.139 177.246 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.01 -43.11 81.5 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.27 -38.66 91.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.392 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.582 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -62.07 -40.04 85.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -61.74 -47.34 85.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.797 0.808 . . . . 0.0 109.517 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.41 -37.42 83.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.107 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -46.95 86.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.701 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 25.1 m-85 -55.07 -42.47 72.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.632 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.03 -33.42 51.07 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.86 -48.72 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.626 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.7 m-85 -60.71 -38.72 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.601 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.785 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 21.2 t0 -61.85 143.7 55.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.17 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 -44.05 53.15 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 122.043 0.925 . . . . 0.0 109.325 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -100.37 -4.68 28.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.852 -171.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 59.14 34.51 79.93 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.291 -0.868 . . . . 0.0 114.941 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.456 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.1 p-10 -74.5 7.41 2.95 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.974 1.387 . . . . 0.0 112.349 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.53 23.61 42.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.439 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.701 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 55.3 m-85 -150.72 150.91 31.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.9 mt -111.13 102.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.247 0.546 . . . . 0.0 110.986 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.706 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.4 m -98.67 165.95 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -55.98 -48.86 75.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.708 0.289 . . . . 0.0 110.976 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.713 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.65 -46.49 63.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.834 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.785 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -60.07 -42.01 93.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.18 -47.77 84.08 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.392 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 24.8 ptt180 -56.16 -48.91 75.4 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -50.24 -54.18 22.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.699 0.624 . . . . 0.0 112.584 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 92' ' ' PHE . 12.7 p -84.85 -33.42 8.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.145 -169.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 ttp -76.43 -73.2 0.29 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.95 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -132.38 -37.75 1.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.2 m120 . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.042 HD13 ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 52' ' ' ILE . 12.3 mm100 -57.49 -26.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.944 0.338 . . . . 0.0 110.802 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 7.9 p-10 -60.17 -51.78 68.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.546 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.484 ' HB3' HD23 ' A' ' 48' ' ' LEU . 24.3 ttt -70.38 -27.28 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 102' ' ' ALA . 10.9 mt -65.23 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.917 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.14 -16.6 59.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 21.9 mm-40 -81.65 -15.54 54.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.297 . . . . 0.0 111.368 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -111.95 -30.63 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 11.8 p-10 -62.77 79.64 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.906 0.86 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -72.1 -32.95 67.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.2 -17.57 32.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 56' ' ' ASP . . . 79.81 10.9 85.21 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.336 -170.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.92 1.18 36.44 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 111.393 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.35 90.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.536 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -148.85 148.33 29.77 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -77.72 143.85 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.634 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 2.4 m-20 -113.63 175.55 5.41 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 85.5 m-85 -55.75 -50.46 86.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.796 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.83 -48.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.544 2.163 . . . . 0.0 113.179 174.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.634 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 61.7 mt-10 -65.0 -50.99 64.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.782 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.516 ' HD1' HG21 ' A' ' 63' ' ' ILE . 45.5 t80 -58.88 -46.26 88.26 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.4 mt -61.86 -40.83 96.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.595 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.8 m -69.72 -44.1 71.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.108 0.48 . . . . 0.0 110.832 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.98 -33.55 76.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 ttt -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 121.294 0.568 . . . . 0.0 109.537 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.89 -19.08 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.847 -173.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.3 tt0 . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -37.39 82.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.55 0.214 . . . . 0.0 111.139 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.3 -37.1 82.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.539 0.209 . . . . 0.0 110.927 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 47.2 mm -65.04 -38.17 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 90.5 mtt180 -66.81 -41.97 86.68 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.278 0.561 . . . . 0.0 109.851 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.22 -42.97 96.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.315 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.67 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.752 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 9.0 m-85 -58.37 -34.33 70.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.452 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -71.91 -38.84 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.993 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.708 ' O ' HG21 ' A' ' 108' ' ' VAL . 71.5 t -75.12 -45.15 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.956 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.832 ' HA ' HG11 ' A' ' 108' ' ' VAL . 54.0 m-85 -77.73 16.69 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.848 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 43.4 t0 -125.17 139.74 53.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 4.9 mtpm? -72.88 -34.38 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.55 12.69 12.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.891 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 42.35 45.44 5.31 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -78.84 5.12 12.15 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.357 1.079 . . . . 0.0 111.462 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.78 22.88 34.82 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.483 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.4 m-85 -150.71 144.23 25.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 109.95 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 89' ' ' PHE . 71.2 mt -109.46 103.95 16.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 -173.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.746 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 30.5 t -106.02 -178.84 3.77 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.3 -54.87 14.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 1.042 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.53 -43.67 56.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 110.979 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.848 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -57.23 -52.95 63.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.725 176.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 109' ' ' MET . 27.0 tp -59.37 -50.44 73.96 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.723 -173.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CD ' HD21 ' A' ' 48' ' ' LEU . 74.5 mtt180 -62.24 -57.01 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.649 -175.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 53.3 t-80 -50.62 -40.65 53.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.826 0.704 . . . . 0.0 111.687 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -86.72 -38.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.151 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 40.0 ttp -69.8 -73.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.559 -174.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 m -134.26 -43.46 0.78 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 11.7 m120 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.687 -166.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 106' ' ' ARG . 18.5 mt . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 120.426 0.155 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -57.06 -37.57 72.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.799 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.7 -53.58 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.525 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.6 tpt -61.72 -38.62 88.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.76 HG13 ' HB3' ' A' ' 102' ' ' ALA . 31.2 mt -57.24 -43.13 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.469 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.433 HD22 HG22 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -82.6 -22.34 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.417 -172.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -79.39 -33.85 42.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.256 0.55 . . . . 0.0 110.163 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' MET . 23.2 t -91.58 -30.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.361 -176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -61.24 120.9 11.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.391 0.615 . . . . 0.0 110.078 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.67 -31.73 12.12 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.542 -171.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -107.95 -14.72 14.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.369 -174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 20.46 59.85 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.198 -1.001 . . . . 0.0 114.067 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -79.97 -1.66 40.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 111.333 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.65 63.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.459 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.0 t -159.86 178.68 9.51 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.138 0.494 . . . . 0.0 110.424 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.46 141.2 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 170.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.552 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 t70 -112.16 174.87 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 43.1 m-85 -54.68 -50.99 82.55 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 118.678 0.672 . . . . 0.0 111.261 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.2 Cg_exo -54.87 -46.35 33.96 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.981 1.787 . . . . 0.0 112.606 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 39.8 mt-10 -61.23 -53.39 57.53 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -56.25 -46.02 79.79 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.426 0.454 . . . . 0.0 111.006 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -65.03 -42.57 94.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.1 m -72.01 -44.61 63.18 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.887 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmt -64.25 -30.0 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.384 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.71 -66.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 172.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -16.26 0.98 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.89 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.139 0.495 . . . . 0.0 109.743 176.711 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 48.0 mt-10 -57.55 -43.73 84.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.304 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -65.53 -35.34 80.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 109.965 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.557 HG21 HD21 ' A' ' 69' ' ' LEU . 39.4 mm -68.66 -40.33 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.331 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 18.9 ptp180 -66.85 -35.54 80.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.604 -0.439 . . . . 0.0 109.931 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' GLU . 43.0 mt-10 -67.61 -33.66 75.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.76 85.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 18.3 m-85 -57.34 -37.01 71.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.259 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -76.13 -34.34 59.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.373 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 108' ' ' VAL . 90.9 t -86.32 -38.76 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' HA ' HG11 ' A' ' 108' ' ' VAL . 39.5 m-85 -72.28 -30.31 64.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.174 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.914 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.5 t70 -71.9 148.4 46.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.832 170.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.776 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 98.6 mttt -66.87 -44.98 79.51 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.176 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -110.53 15.29 22.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.449 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.45 39.87 15.32 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.257 -0.883 . . . . 0.0 114.975 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -77.78 21.13 0.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.754 1.277 . . . . 0.0 112.581 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.61 22.6 74.87 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.588 173.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.2 m-85 -147.32 146.29 29.65 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 76.5 mt -110.21 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.747 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 19.3 m -100.84 158.9 15.63 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -52.68 -53.35 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.266 . . . . 0.0 111.419 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -49.54 -46.21 48.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.957 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.914 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -64.34 -47.18 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 62.7 tp -55.19 -40.02 70.25 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.217 -175.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.795 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.3 mtt180 -78.58 -57.77 3.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.444 -175.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.37 -35.18 64.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.502 0.501 . . . . 0.0 111.653 -172.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' ' 92' ' ' PHE . 2.5 p -85.36 -44.29 17.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.729 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.456 ' SD ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -75.57 -75.13 0.19 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.456 HG23 ' SD ' ' A' ' 109' ' ' MET . 1.2 p -134.1 -43.85 0.79 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.506 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 6.4 t-20 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.466 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.045 HD23 ' HA ' ' A' ' 103' ' ' ALA . 16.2 tp . . . . . 0 C--O 1.233 0.187 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 52' ' ' ILE . 9.8 tt0 -52.71 -29.98 29.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.13 -44.92 90.7 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.315 0.578 . . . . 0.0 110.426 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -62.87 -34.36 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.427 176.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 49' ' ' GLN . 66.2 mt -64.18 -34.58 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.817 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 53' ' ' ASN . 11.7 m120 -76.32 -22.49 54.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.76 -177.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.93 -34.5 29.84 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.249 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.07 -30.77 18.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.07 0.462 . . . . 0.0 110.344 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.4 109.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.627 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.76 -43.78 7.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.929 -171.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -125.05 -4.98 7.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.718 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.53 77.61 1.17 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.046 -174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.8 -29.16 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.532 -0.834 . . . . 0.0 110.247 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 -2.73 80.62 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -159.18 177.34 11.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.455 -1.373 . . . . 0.0 108.786 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.578 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -96.03 146.33 7.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 9.0 t70 -110.68 175.96 5.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 84.4 m-85 -55.71 -56.86 25.27 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 112.744 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 18.9 Cg_endo -60.62 -34.38 92.36 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.755 1.637 . . . . 0.0 112.017 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.9 mt-10 -72.6 -43.34 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.664 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' HA ' HD13 ' A' ' 63' ' ' ILE . 62.0 t80 -60.05 -42.07 93.68 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.208 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -63.33 -33.35 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.322 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -80.68 -41.58 23.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.137 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG3' HD11 ' A' ' 63' ' ' ILE . 24.0 mmt -65.61 -29.38 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 174.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 36.5 ttm -66.16 -68.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.1 -13.83 1.36 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.102 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.8 tpm_? . . . . . 0 N--CA 1.452 -0.348 0 O-C-N 123.552 0.533 . . . . 0.0 109.666 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.482 ' OE2' ' HD2' ' A' ' 86' ' ' ARG . 24.7 tt0 . . . . . 0 C--O 1.223 -0.326 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 5.5 mp0 -60.2 -43.59 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.551 0.215 . . . . 0.0 111.531 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.24 -38.99 86.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.256 0.55 . . . . 0.0 109.604 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.431 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 33.9 mm -67.3 -35.84 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.656 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 29.2 mtp85 -62.4 -42.72 99.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.757 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 36.5 tt0 -69.49 -28.62 66.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 109.906 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -69.56 -42.68 74.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.809 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.634 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.7 m-85 -54.83 -35.26 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 111.42 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HD3' ' HA ' ' A' ' 87' ' ' GLU . 59.6 mtp180 -71.57 -37.73 71.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.294 177.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.4 p -86.49 -21.93 7.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -173.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.442 ' C ' HG11 ' A' ' 108' ' ' VAL . 32.0 m-85 -96.98 15.05 23.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.213 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.712 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 13.6 t70 -126.09 132.67 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.727 ' HG2' ' OE1' ' A' ' 104' ' ' GLU . 9.7 ptmm? -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 -172.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -107.41 13.39 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.713 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 48.15 36.82 16.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.157 0.823 . . . . 0.0 115.157 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.41 19.53 1.23 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.335 1.068 . . . . 0.0 113.393 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.23 23.65 62.84 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.903 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.634 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 46.0 m-85 -150.53 162.28 40.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.518 HD11 ' HA ' ' A' ' 89' ' ' PHE . 67.7 mt -122.86 104.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.17 0.509 . . . . 0.0 111.131 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.571 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 22.9 t -101.42 168.2 9.67 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -63.58 -54.78 30.6 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.143 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 1.045 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -52.79 -36.28 57.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.492 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.727 ' OE1' ' HG2' ' A' ' 94' ' ' LYS . 16.4 mm-40 -60.64 -49.92 75.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.365 174.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 10.4 mt -53.21 -44.57 68.11 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.622 -174.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -78.72 -53.43 7.15 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.165 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 32.6 m80 -66.83 -25.95 66.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 104' ' ' GLU . 8.1 p -85.29 -47.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.469 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tmm? -69.11 -54.03 17.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.492 -172.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -128.11 -41.45 1.6 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.094 -0.379 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.2 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.566 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.2 mm? . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.12 -31.8 70.75 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.461 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -51.03 71.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.4 tpp -64.09 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.1 mt -60.79 -44.43 97.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' ' OD1' ' A' ' 56' ' ' ASP . 12.4 m120 -71.79 -23.22 61.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.46 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.26 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.031 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.82 -33.27 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 53' ' ' ASN . 8.4 p-10 -71.87 87.0 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.533 1.158 . . . . 0.0 112.018 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -69.59 -30.47 68.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.47 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.01 -17.07 53.77 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 76.15 16.78 80.44 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.846 -170.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -88.18 0.65 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 111.526 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.469 ' H ' ' HB2' ' A' ' 56' ' ' ASP . . . 80.3 13.48 81.78 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.598 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -158.04 147.56 19.77 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.895 0.379 . . . . 0.0 110.089 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.646 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -77.85 140.84 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.545 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 2.0 m-20 -113.33 173.4 6.42 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 71.9 m-85 -52.89 -48.54 91.08 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.278 175.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.3 Cg_exo -54.4 -53.85 5.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.978 1.786 . . . . 0.0 112.831 174.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.578 ' OE1' ' HA ' ' A' ' 63' ' ' ILE . 56.5 mt-10 -60.04 -52.44 65.34 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HD1' HG21 ' A' ' 63' ' ' ILE . 47.1 t80 -59.31 -47.23 86.16 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.261 0.351 . . . . 0.0 110.482 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.8 mt -66.48 -45.18 80.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.966 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.5 m -70.42 -46.69 63.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.726 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 mmt -60.95 -28.48 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.89 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.1 ttm -72.97 -69.98 0.38 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.15 -15.68 2.47 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 . . . . . 0 N--CA 1.454 -0.238 0 O-C-N 123.707 0.629 . . . . 0.0 110.367 173.126 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.48 -38.02 89.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.047 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -32.31 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 41.1 mm -66.98 -35.96 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.235 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -63.17 -45.4 92.0 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.411 0.624 . . . . 0.0 110.009 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.4 mm-40 -69.24 -25.93 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.022 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.51 79.95 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.891 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.9 m-85 -57.7 -35.63 70.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.119 0.485 . . . . 0.0 111.038 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -76.22 -31.66 58.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.033 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 87' ' ' GLU . 81.8 t -83.32 -43.5 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.588 0.232 . . . . 0.0 111.219 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.892 ' HA ' HG11 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.69 16.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.0 111.314 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.926 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 53.3 t0 -132.42 142.87 49.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' HD3' ' CG ' ' A' ' 107' ' ' HIS . 15.7 pttp -87.38 -16.08 35.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 0.0 110.068 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -118.33 1.83 11.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.659 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.25 41.7 11.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.754 1.061 . . . . 0.0 115.754 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.534 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -77.35 18.59 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.772 1.286 . . . . 0.0 112.236 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.92 21.51 78.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.91 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 97' ' ' ASN . 63.5 m-85 -150.45 141.96 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.646 ' HB ' HG22 ' A' ' 63' ' ' ILE . 83.2 mt -110.58 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -173.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.535 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.8 t -108.73 171.7 7.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -57.83 -54.29 48.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.45 -46.25 56.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.649 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.926 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.3 mm-40 -61.21 -51.8 67.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.631 0.729 . . . . 0.0 109.113 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.649 ' O ' ' HB2' ' A' ' 109' ' ' MET . 63.6 tp -58.34 -43.23 88.18 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.213 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.531 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 84.5 mtt180 -77.7 -45.12 25.77 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.626 -175.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 65.9 t-80 -50.99 -37.28 43.93 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.164 0.507 . . . . 0.0 111.257 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.892 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.2 p -86.96 -40.69 14.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.899 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.649 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.12 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -168.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.88 -16.85 2.86 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 7.7 t30 . . . . . 0 C--N 1.327 -0.405 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -173.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 111.28 0.104 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' HD12 ' A' ' 52' ' ' ILE . 61.7 tt0 -63.59 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 110.098 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.14 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.048 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.2 tpt -58.58 -36.52 74.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.717 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 48' ' ' LEU . 62.1 mt -61.18 -46.29 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.288 0.566 . . . . 0.0 109.627 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.63 -21.71 64.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.57 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.59 -43.92 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.224 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.2 t -97.18 -31.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -167.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -67.05 123.39 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.259 0.552 . . . . 0.0 110.291 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.91 15.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.575 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -118.63 -3.03 10.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.491 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.79 32.12 73.7 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.102 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -92.31 -0.48 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.331 0.566 . . . . 0.0 111.053 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.73 -0.81 56.64 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.706 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -158.88 175.03 14.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.734 HD11 ' HG3' ' A' ' 71' ' ' MET . 0.1 OUTLIER -94.69 142.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.1 m-20 -113.0 179.38 3.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 86' ' ' ARG . 70.8 m-85 -55.75 -52.54 71.37 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.854 174.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.1 Cg_endo -52.73 -50.58 13.55 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.95 -52.23 66.31 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' ILE . 73.7 t80 -61.54 -48.84 79.2 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -58.78 -45.46 89.76 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.252 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.648 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 48.3 m -63.79 -35.3 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 111.401 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.734 ' HG3' HD11 ' A' ' 63' ' ' ILE . 97.2 mmm -51.95 -43.03 63.33 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.556 0.217 . . . . 0.0 110.934 173.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 74' ' ' ARG . 53.9 tpp -74.53 -60.81 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' A' ' 70' ' ' THR . . . -46.81 -6.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 72' ' ' MET . 32.0 mtm180 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 117.908 0.322 . . . . 0.0 111.495 -171.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 33.6 mt-10 . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 111.302 0.112 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -69.53 -40.68 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.534 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 50.3 mm -60.5 -41.65 88.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.347 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 43.3 mtm180 -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.455 0.645 . . . . 0.0 110.096 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.93 -33.01 70.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.558 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.13 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.151 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.656 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.1 m-85 -59.64 -30.82 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -76.02 -35.91 59.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.732 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.46 -47.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.526 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' HG11 ' A' ' 108' ' ' VAL . 13.5 m-85 -60.7 -44.43 96.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.953 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.98 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 12.3 t70 -68.73 148.64 50.07 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.323 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 98.4 mttt -70.66 -46.21 63.66 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.663 0.744 . . . . 0.0 110.423 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 7.8 p-10 -106.8 9.6 30.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.101 -172.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.436 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 49.09 38.82 25.67 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 114.754 -1.112 . . . . 0.0 115.069 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 3.5 p-10 -76.51 21.85 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.849 1.324 . . . . 0.0 113.187 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.03 21.39 78.44 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.423 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.656 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 65.4 m-85 -146.51 148.85 32.62 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 105' ' ' LEU . 38.5 mt -106.93 102.36 13.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.102 0.477 . . . . 0.0 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.702 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 6.6 m -97.81 -179.78 4.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 52' ' ' ILE . . . -67.21 -54.91 16.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -51.99 -32.57 34.28 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.073 0.463 . . . . 0.0 111.246 174.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.98 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.1 mm-40 -75.41 -42.93 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.502 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.36 -45.55 65.8 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.498 -179.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HD2' HD13 ' A' ' 48' ' ' LEU . 88.1 mtt180 -76.29 -41.09 49.94 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.691 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 94' ' ' LYS . 47.9 t60 -49.85 -45.75 50.68 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.235 0.54 . . . . 0.0 111.537 175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.4 p -84.18 -38.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.538 -177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.7 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 16.7 ttp -74.3 -73.0 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.853 -169.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -129.8 -15.08 3.95 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -175.227 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 102' ' ' ALA . 4.5 mm? . . . . . 0 CA--C 1.528 0.104 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' ILE . 50.6 tt0 -50.84 -40.46 56.0 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -47.36 85.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.708 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.7 tpt -64.22 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' GLN . 79.6 mt -62.7 -49.16 84.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.39 -19.63 64.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.023 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.44 -43.26 17.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -32.1 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -65.26 123.99 21.01 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.287 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -97.28 -33.46 11.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.195 -174.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -119.24 5.54 11.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.079 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.56 66.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.777 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -87.46 1.63 52.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.8 4.52 67.33 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.392 172.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.0 t -160.59 176.98 10.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG21 ' HD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -93.25 141.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 168.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.655 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.6 t0 -112.87 178.49 4.27 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.507 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.8 m-85 -57.5 -50.61 87.15 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 118.85 0.75 . . . . 0.0 111.451 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 53.1 Cg_exo -54.08 -50.3 14.08 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.241 1.961 . . . . 0.0 112.607 174.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mp0 -58.18 -52.03 67.27 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.429 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.571 ' HD1' HG21 ' A' ' 63' ' ' ILE . 34.4 t80 -57.94 -51.71 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.458 0.17 . . . . 0.0 110.787 -174.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 85' ' ' ILE . 3.5 mm? -68.67 -53.98 19.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.03 -46.32 68.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.777 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 51.0 tpp -61.83 -35.67 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.364 0.126 . . . . 0.0 111.048 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 ttp -63.44 -66.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.573 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.97 -19.16 11.31 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.5 tpm_? . . . . . 0 C--N 1.33 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.763 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.99 -46.24 82.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.357 0.598 . . . . 0.0 110.52 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -70.06 -40.76 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.264 -174.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 HD21 ' A' ' 69' ' ' LEU . 30.3 mm -70.21 -37.55 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.445 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -63.85 -40.94 97.78 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.492 0.663 . . . . 0.0 109.801 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.1 -32.23 73.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.212 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.68 84.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.6 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 20.1 m-85 -58.16 -30.92 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.917 175.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -77.9 -40.55 39.49 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 93' ' ' ASP . 77.5 t -82.39 -39.38 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.082 0.468 . . . . 0.0 111.48 -173.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.753 ' HA ' HG11 ' A' ' 108' ' ' VAL . 44.2 m-85 -74.43 17.24 0.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.73 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.953 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.9 t0 -131.12 149.69 52.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -80.64 -32.66 36.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 109.517 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -112.16 -1.24 15.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.071 -175.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.567 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.87 42.79 29.95 Favored Glycine 0 C--O 1.228 -0.244 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.945 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.588 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.4 p-10 -75.8 20.86 0.17 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.79 1.295 . . . . 0.0 112.998 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.6 21.88 79.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.92 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 97' ' ' ASN . 56.2 m-85 -148.27 141.06 24.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 76.6 mt -104.58 103.52 15.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.281 0.562 . . . . 0.0 110.305 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.674 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 7.1 m -100.63 166.81 10.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.971 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 48' ' ' LEU . . . -55.13 -54.79 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -53.0 -40.76 64.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.16 0.505 . . . . 0.0 111.853 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.953 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.3 mm-40 -63.04 -43.79 97.71 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 21.1 mt -57.75 -40.16 79.05 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.222 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 10.7 ptt180 -65.82 -47.6 74.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.965 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -54.75 -42.38 71.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.757 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.753 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -84.51 -48.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.088 0.47 . . . . 0.0 111.326 -176.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.451 ' N ' HG13 ' A' ' 108' ' ' VAL . 10.6 tpt -74.57 -72.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.625 -166.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -122.01 -36.13 3.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 111' ' ' ASN . 3.4 m120 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' ' 103' ' ' ALA . 9.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.09 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.371 0.605 . . . . 0.0 110.029 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.04 -47.73 79.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.469 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 tpp -63.98 -31.47 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 75.7 mt -65.63 -38.65 82.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -32.58 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.136 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -71.09 -37.02 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 t -85.36 -26.98 6.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.284 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.87 74.8 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.662 0.744 . . . . 0.0 111.209 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.26 62.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.835 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -116.56 6.06 13.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -169.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.36 70.04 1.36 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 119.967 -1.111 . . . . 0.0 112.548 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -140.06 -20.08 0.89 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.489 . . . . 0.0 111.859 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.44 6.6 80.62 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -158.63 -178.42 7.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB ' ' A' ' 100' ' ' ILE . 1.6 tt -93.41 147.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.584 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 8.2 m-20 -102.65 167.58 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 39.3 m-85 -54.54 -55.71 34.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 118.654 0.661 . . . . 0.0 111.788 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 23.2 Cg_endo -61.77 -36.48 73.67 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.778 1.652 . . . . 0.0 111.678 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.584 ' HB3' ' H ' ' A' ' 64' ' ' ASP . 6.8 tt0 -62.53 -54.91 32.85 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.997 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.409 ' HD1' HD13 ' A' ' 63' ' ' ILE . 86.0 t80 -56.17 -45.61 79.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -63.94 -40.41 96.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -76.38 -43.46 40.58 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -36.53 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.751 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 43.7 ttp -62.41 -63.75 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.14 -15.99 4.52 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 0.0 110.476 179.365 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.65 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 20.4 tt0 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 -36.13 72.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.712 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.8 -45.62 60.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 69' ' ' LEU . 35.3 mm -67.78 -37.19 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.225 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 16.5 mtp180 -61.72 -42.72 99.32 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.141 0.496 . . . . 0.0 109.978 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.0 tt0 -73.44 -26.61 61.02 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.67 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -66.8 -44.14 82.03 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.7 m-85 -52.83 -41.09 63.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -74.91 -25.62 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.611 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 41.2 t -79.86 -44.0 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.77 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 5.3 m-85 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.424 0.63 . . . . 0.0 109.398 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.673 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 9.8 t0 -57.97 141.7 48.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.649 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 107' ' ' HIS . 97.0 mttt -76.26 -41.18 49.81 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 109.672 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -105.07 2.59 29.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.724 -170.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.28 35.88 51.35 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.848 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.495 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -75.01 -0.59 19.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.785 1.293 . . . . 0.0 111.657 178.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.5 22.84 27.96 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.368 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.4 m-85 -152.55 146.73 25.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.93 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.519 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 65.7 mt -108.99 101.84 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.595 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.691 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -101.71 -179.36 3.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.499 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -62.44 -54.59 37.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.803 0.274 . . . . 0.0 111.337 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -48.35 -44.91 34.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.099 0.476 . . . . 0.0 111.27 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.691 ' HG3' ' H ' ' A' ' 101' ' ' SER . 4.3 mm-40 -63.94 -47.65 79.62 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.577 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.586 ' O ' ' HB2' ' A' ' 109' ' ' MET . 42.5 tp -57.21 -45.48 83.76 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.782 -174.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 6.8 mtp180 -63.61 -44.37 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.226 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.524 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 6.6 t-80 -48.26 -45.63 34.75 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.735 0.647 . . . . 0.0 112.02 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.77 ' HB ' ' HA ' ' A' ' 92' ' ' PHE . 12.1 p -85.61 -30.31 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 19.7 ttt -81.02 -73.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.228 -166.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -129.45 -20.07 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.618 -0.676 . . . . 0.0 112.043 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 55.5 t30 . . . . . 0 C--N 1.33 -0.251 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.022 HD11 ' HD2' ' A' ' 106' ' ' ARG . 2.7 mm? . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -57.3 -31.3 65.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -58.01 -57.62 12.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.23 0.538 . . . . 0.0 109.776 174.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 55' ' ' VAL . 16.2 tpt -59.58 -32.74 70.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.968 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.4 mt -64.49 -39.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.482 ' HA ' ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -74.42 -19.59 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.659 -178.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -82.57 -32.09 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 51' ' ' MET . 79.8 t -84.93 -33.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 53' ' ' ASN . 2.7 p30 -61.65 131.88 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 110.978 177.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.1 -29.08 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.735 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -122.05 -0.73 9.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.489 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.72 25.78 48.65 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.669 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -76.99 -6.75 53.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.657 1.229 . . . . 0.0 111.809 171.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.28 -1.21 86.04 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.918 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -144.56 159.57 42.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -88.03 142.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 171.149 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.578 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.9 t70 -110.07 173.13 6.47 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 97.4 m-85 -50.61 -55.45 26.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.483 0.583 . . . . 0.0 112.336 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 34.8 Cg_exo -60.06 -38.64 76.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.919 1.746 . . . . 0.0 112.749 177.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.578 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 46.8 mt-10 -68.33 -42.88 78.66 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.837 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.673 ' HA ' HD13 ' A' ' 63' ' ' ILE . 77.6 t80 -56.36 -49.01 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.743 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 69' ' ' LEU . 4.1 mm? -64.06 -34.66 78.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.014 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -76.97 -45.08 28.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.417 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.725 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 21.3 mmt -63.17 -37.49 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.322 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 tpt -64.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.18 -14.62 0.26 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 12.5 mmm180 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.177 0.513 . . . . 0.0 110.408 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 43.8 tt0 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.43 -38.89 88.41 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.55 -38.69 91.88 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 51.0 mm -60.61 -40.37 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.095 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.643 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 47.4 mtt180 -61.85 -42.63 99.27 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.3 tt0 -73.1 -27.93 61.99 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.484 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.945 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.728 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 7.9 m-85 -59.81 -29.68 68.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.775 174.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 90' ' ' ARG . 39.2 ttt180 -75.55 -34.38 60.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.068 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.8 t -82.1 -40.86 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.53 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.737 ' HA ' HG21 ' A' ' 108' ' ' VAL . 56.8 m-85 -77.9 17.08 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.496 . . . . 0.0 111.597 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 47.6 t0 -129.98 144.32 51.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -77.66 -26.7 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.414 0.626 . . . . 0.0 109.88 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -116.14 0.65 13.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.827 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.4 45.81 16.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.549 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -77.03 16.59 0.53 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.834 1.317 . . . . 0.0 112.175 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.1 66.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.885 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.728 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 63.4 m-85 -148.75 145.09 27.46 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 86.5 mt -110.08 100.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.598 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 23.1 t -99.51 163.21 12.6 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -53.63 -53.96 44.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.725 0.297 . . . . 0.0 111.029 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.603 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . . . -50.34 -49.12 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.111 175.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.884 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -58.65 -50.33 74.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.3 0.571 . . . . 0.0 109.683 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.766 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.5 tt -58.57 -48.09 82.06 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.914 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 1.022 ' HD2' HD11 ' A' ' 48' ' ' LEU . 50.8 mtt180 -74.22 -29.82 61.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.665 -174.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 41.8 m80 -80.24 -24.39 40.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.604 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.737 HG21 ' HA ' ' A' ' 92' ' ' PHE . 33.8 m -88.02 -25.58 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.833 0.825 . . . . 0.0 108.943 171.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.766 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 18.1 ttt -77.02 -73.31 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.748 -175.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 -26.68 2.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.077 0.465 . . . . 0.0 111.637 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.729 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.3 m120 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.4 mm? . . . . . 0 CA--C 1.523 -0.092 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.8 mt-30 -61.08 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.348 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.81 -48.9 79.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.218 0.532 . . . . 0.0 109.909 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt -61.1 -32.42 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.421 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 102' ' ' ALA . 79.3 mt -65.25 -45.92 92.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.968 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.88 -33.19 75.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.124 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.15 -42.86 18.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 111.351 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -78.0 -32.92 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.701 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 24.8 t0 -59.22 128.94 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.701 0.763 . . . . 0.0 111.423 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.92 -38.84 8.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.388 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -96.57 -17.04 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.614 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.6 20.37 64.07 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.996 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -81.26 -6.1 58.5 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 117.527 0.664 . . . . 0.0 111.632 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 7.26 55.86 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.526 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -159.64 170.07 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.515 . . . . 0.0 110.645 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -87.48 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.9 t70 -112.84 178.66 4.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 73.5 m-85 -55.75 -52.43 72.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 118.48 0.582 . . . . 0.0 111.448 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 11.7 Cg_endo -55.9 -44.4 47.76 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.056 1.837 . . . . 0.0 112.581 176.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.7 mt-10 -64.38 -53.17 52.79 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.477 ' HD1' HG21 ' A' ' 63' ' ' ILE . 44.0 t80 -58.17 -47.38 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.96 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -64.69 -45.03 88.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 88.1 m -65.82 -48.02 73.09 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.036 -175.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -32.86 74.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.007 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.2 tpp -74.23 -69.31 0.46 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.387 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -15.36 2.86 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 70' ' ' THR . 33.8 ttt180 . . . . . 0 C--O 1.231 0.111 0 O-C-N 123.57 0.544 . . . . 0.0 110.586 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.4 tt0 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 16.7 mm-40 -52.61 -46.21 66.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 111.029 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -39.76 93.8 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.919 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 69' ' ' LEU . 47.9 mm -62.0 -39.61 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.921 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 80.2 mtp180 -62.04 -45.23 94.48 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.466 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.95 -27.5 67.51 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.56 69.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 20.6 m-85 -55.79 -35.89 66.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.591 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -64.61 -48.89 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.401 HG12 HG21 ' A' ' 108' ' ' VAL . 99.5 t -86.35 -33.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.871 -168.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.837 ' HA ' HG11 ' A' ' 108' ' ' VAL . 45.2 m-85 -83.3 14.8 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 111.193 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 1.044 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 14.9 t70 -127.06 148.4 50.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 99.5 mttt -63.2 -46.49 86.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.469 0.652 . . . . 0.0 110.512 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 13.1 p-10 -111.93 16.91 20.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.093 -172.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.51 37.42 3.63 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 4.1 p-10 -76.57 22.4 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.0 21.94 75.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.149 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -149.82 152.06 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 73.9 mt -115.51 112.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.052 0.454 . . . . 0.0 110.666 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.775 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.6 t -110.99 174.74 5.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.85 -54.19 17.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.587 0.232 . . . . 0.0 111.609 -175.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.41 30.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.263 0.554 . . . . 0.0 111.432 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 1.044 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -69.56 -39.27 77.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.007 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 47.1 mt -59.07 -46.63 87.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.898 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -66.61 -39.91 88.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.944 -177.307 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 104' ' ' GLU . 7.5 t-80 -48.82 -51.91 26.96 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.823 0.702 . . . . 0.0 111.992 173.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.837 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.6 p -86.95 -40.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.526 -172.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -71.15 -69.57 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.768 -168.402 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -131.0 -40.14 1.18 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.816 ' HB2' ' HG3' ' A' ' 106' ' ' ARG . 16.2 m120 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.385 0.612 . . . . 0.0 111.708 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD12 ' HB1' ' A' ' 102' ' ' ALA . 3.5 mm? . . . . . 0 N--CA 1.46 0.068 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 52' ' ' ILE . 8.7 tt0 -58.2 -35.24 71.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.155 0.502 . . . . 0.0 109.713 174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.11 -50.96 69.6 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.745 0.784 . . . . 0.0 109.67 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 tpp -63.73 -30.71 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.724 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 49' ' ' GLN . 75.7 mt -63.71 -43.55 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -69.15 -22.42 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.488 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -89.92 -27.76 19.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.2 -32.81 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -56.63 115.57 2.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 122.035 0.921 . . . . 0.0 111.593 179.093 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.649 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -99.33 -44.21 6.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.253 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.99 -17.07 28.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 87.04 17.6 59.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.728 -0.669 . . . . 0.0 113.63 175.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -89.17 4.58 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.346 0.573 . . . . 0.0 111.125 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.67 1.11 89.21 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.63 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' TYR . 12.7 t -142.6 156.62 45.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.946 0.403 . . . . 0.0 110.432 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.617 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -80.04 141.31 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.302 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.7 m-20 -112.52 172.2 7.06 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -176.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 95.8 m-85 -52.47 -51.26 74.58 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 118.322 0.51 . . . . 0.0 110.906 175.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 77.5 Cg_exo -52.98 -48.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.362 2.042 . . . . 0.0 112.897 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 49.8 mt-10 -65.92 -53.14 43.18 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' HD1' HG21 ' A' ' 63' ' ' ILE . 39.9 t80 -60.07 -44.99 94.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.396 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -61.64 -41.26 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.691 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.4 m -74.51 -38.88 62.71 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.608 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.31 -37.68 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.0 ttm -71.48 -68.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.107 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.28 -15.73 0.68 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.018 0.437 . . . . 0.0 110.711 177.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.8 -35.31 76.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.169 0.509 . . . . 0.0 110.717 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.01 -50.44 55.49 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.403 0.62 . . . . 0.0 109.483 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.571 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 30.8 mm -61.31 -34.91 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.08 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 71.2 ttt180 -60.75 -42.4 97.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.575 176.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.3 tt0 -69.3 -32.73 72.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.561 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.74 90.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.906 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.8 m-85 -56.75 -36.75 70.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -78.08 -25.74 47.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.959 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 87' ' ' GLU . 89.6 t -83.24 -38.95 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.914 0.388 . . . . 0.0 111.429 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.75 ' HA ' HG21 ' A' ' 108' ' ' VAL . 57.5 m-85 -79.16 15.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.497 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 37.3 t0 -125.46 144.83 50.35 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.855 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -73.41 -41.48 63.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.527 0.679 . . . . 0.0 110.599 175.234 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.68 0.6 24.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.676 -171.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.98 36.92 35.2 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.669 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -75.24 1.62 13.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.251 1.025 . . . . 0.0 112.218 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.96 42.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.486 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.6 m-85 -149.49 142.71 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.617 ' HB ' HG22 ' A' ' 63' ' ' ILE . 82.8 mt -110.26 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.367 0.603 . . . . 0.0 110.302 -173.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.773 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 12.7 m -101.64 176.5 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 48' ' ' LEU . . . -64.42 -54.2 36.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.8 -41.51 61.77 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.855 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 4.4 mm-40 -57.07 -46.56 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.341 0.591 . . . . 0.0 109.419 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.13 -51.37 68.15 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.034 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 26.6 ptt180 -58.58 -34.58 71.25 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -175.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -74.47 -41.56 60.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.339 0.59 . . . . 0.0 110.178 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 92' ' ' PHE . 17.5 m -86.52 -30.83 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.993 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.32 -74.71 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.73 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -132.33 -39.59 1.03 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.733 0.697 . . . . 0.0 112.549 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.7 m120 . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 52' ' ' ILE . 8.1 mp . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 52' ' ' ILE . 34.7 tt0 -51.82 -36.83 49.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.515 0.198 . . . . 0.0 111.358 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.63 -48.18 82.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.185 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.5 tpp -58.31 -36.55 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.444 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.717 HG12 ' HB3' ' A' ' 102' ' ' ALA . 55.8 mt -60.71 -40.16 83.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.006 0.432 . . . . 0.0 109.838 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.17 -24.77 54.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.154 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -46.43 12.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 -177.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.14 -31.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.036 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 16.1 t0 -61.96 127.28 30.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.68 -30.37 12.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.445 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -106.95 -15.83 14.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.022 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.31 71.46 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.63 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.63 -3.04 45.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.358 0.579 . . . . 0.0 111.247 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.51 3.22 58.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.638 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.6 t -160.8 177.44 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.975 0.417 . . . . 0.0 110.312 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.37 138.85 19.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 167.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 8.0 t0 -110.89 176.04 5.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 76.8 m-85 -53.24 -51.8 71.98 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 118.602 0.637 . . . . 0.0 111.512 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.0 Cg_endo -56.72 -47.85 21.52 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.139 1.893 . . . . 0.0 112.38 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.2 mt-10 -61.5 -49.3 77.29 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.337 -178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 57.0 t80 -59.03 -51.13 71.4 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.921 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -62.78 -43.63 98.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -68.76 -43.24 76.21 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.679 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -70.33 -28.86 65.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.968 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpt -74.47 -68.92 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -14.54 0.58 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 123.562 0.539 . . . . 0.0 110.317 175.017 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 32.1 tt0 . . . . . 0 C--O 1.223 -0.324 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.72 93.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.109 0.413 . . . . 0.0 111.13 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -69.45 -38.78 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.626 0.727 . . . . 0.0 109.308 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 69' ' ' LEU . 47.3 mm -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.25 176.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.2 mtp180 -63.9 -36.17 83.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.75 -41.82 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.232 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -68.91 -42.62 76.6 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.176 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' HA ' HD11 ' A' ' 100' ' ' ILE . 7.1 m-85 -54.08 -32.99 56.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.724 0.297 . . . . 0.0 111.607 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.53 -36.67 52.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.439 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 88' ' ' ALA . 1.1 p -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' HA ' HG11 ' A' ' 108' ' ' VAL . 27.0 m-85 -85.35 13.25 6.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.244 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 1.017 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.8 t70 -134.11 151.08 51.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -73.13 -41.94 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.54 0.685 . . . . 0.0 110.242 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -3.25 44.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.94 -173.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.96 7.48 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.184 -0.462 . . . . 0.0 113.547 -171.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.472 HD21 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -76.76 23.01 0.17 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.23 21.29 79.84 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.02 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 97' ' ' ASN . 68.8 m-85 -147.92 147.78 30.09 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 70.7 mt -111.96 103.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.212 0.529 . . . . 0.0 110.375 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.663 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 3.7 m -95.18 164.17 12.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.17 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.717 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -58.32 -54.42 47.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -53.46 -25.86 17.98 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 1.017 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -74.24 -35.34 63.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.819 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 102' ' ' ALA . 2.0 mm? -55.84 -42.61 76.01 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 5.8 ptt180 -72.73 -36.82 67.84 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.856 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -53.91 -49.71 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.618 173.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 92' ' ' PHE . 6.0 p -85.71 -50.56 14.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.432 ' N ' HG13 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -68.01 -72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.828 -163.162 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -40.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -177.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.535 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD21 ' HD3' ' A' ' 106' ' ' ARG . 42.1 mt . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.81 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.32 -53.39 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.589 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.33 -39.83 89.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.251 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.75 HG13 ' HB3' ' A' ' 102' ' ' ALA . 54.7 mt -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.1 0.476 . . . . 0.0 110.125 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.09 -24.65 59.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.438 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -81.5 -38.77 25.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.2 t -77.14 -30.3 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -55.69 107.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -97.66 -46.45 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.949 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -120.38 -3.18 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.295 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.95 78.88 1.21 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.206 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' THR . 7.0 m120 -127.93 -24.68 3.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.317 -0.942 . . . . 0.0 110.552 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 4.77 58.24 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 99' ' ' TYR . 94.7 m -158.08 169.58 24.21 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.034 -1.583 . . . . 0.0 107.814 -169.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.637 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.8 tt -90.5 144.69 8.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 171.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.6 t0 -111.41 171.05 7.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.823 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 86.0 m-85 -54.01 -53.06 62.49 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 118.642 0.655 . . . . 0.0 112.04 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.7 Cg_endo -57.97 -42.82 54.34 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.047 1.832 . . . . 0.0 112.228 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.874 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 6.1 mt-10 -70.89 -41.3 71.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.583 ' HD1' HG21 ' A' ' 63' ' ' ILE . 60.4 t80 -58.91 -47.51 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.207 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.5 mt -68.37 -37.1 80.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.878 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -74.51 -43.35 56.31 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.35 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 mmt -59.19 -34.66 72.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.0 ttm -69.67 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.927 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.56 -15.42 1.75 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 . . . . . 0 C--O 1.233 0.197 0 O-C-N 123.844 0.715 . . . . 0.0 110.501 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 30.9 tt0 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.638 0.256 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.38 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.05 -34.71 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.641 175.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.47 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.6 mm -63.22 -38.31 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.614 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.823 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 80.9 mtt180 -65.31 -40.65 94.05 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.8 0.81 . . . . 0.0 110.027 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . 39.1 tt0 -68.21 -31.59 71.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.584 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.58 82.76 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.108 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.612 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.1 m-85 -56.97 -35.01 68.65 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -74.6 -30.84 61.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.8 t -82.67 -44.69 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.539 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.438 ' C ' HG21 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.3 18.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.9 0.48 . . . . 0.0 112.175 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.979 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 38.4 t0 -123.65 142.49 51.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.797 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 96.1 mttt -65.32 -44.3 88.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.865 0.841 . . . . 0.0 109.83 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.74 -0.1 25.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.585 -173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.91 44.61 31.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 115.209 0.844 . . . . 0.0 115.209 -175.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.425 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -76.41 15.48 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.714 1.257 . . . . 0.0 112.397 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 22.81 57.27 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.04 174.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.612 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.5 m-85 -154.24 154.32 33.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -176.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.637 ' HB ' HG22 ' A' ' 63' ' ' ILE . 65.1 mt -116.78 102.1 13.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 0.0 111.2 -176.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.731 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 2.0 m -92.46 159.38 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 175.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -53.03 -50.93 63.27 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.106 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.85 -50.45 56.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.854 175.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.979 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.0 mm-40 -58.85 -47.94 83.11 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.917 0.865 . . . . 0.0 109.372 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.22 -42.9 92.11 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.054 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.866 ' HG3' ' HB3' ' A' ' 111' ' ' ASN . 2.9 ptt180 -67.51 -41.87 83.73 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.21 -175.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.564 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 33.5 t-80 -50.66 -46.12 58.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.337 0.589 . . . . 0.0 111.6 173.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 2.4 t -88.11 -43.52 15.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.473 0.654 . . . . 0.0 111.869 -174.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -71.3 0.25 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.201 -170.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 t -124.35 -40.14 2.27 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.866 ' HB3' ' HG3' ' A' ' 106' ' ' ARG . 9.4 t-20 . . . . . 0 CA--C 1.537 0.471 0 O-C-N 122.538 -0.101 . . . . 0.0 110.864 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.845 0.355 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.71 115.49 16.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 52' ' ' ILE . 83.3 mt -71.56 0.78 7.73 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 111.223 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 52' ' ' ILE . 59.0 tt0 -59.84 -34.86 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.09 -35.03 76.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.244 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 46.6 tpp -68.48 -35.73 77.94 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.53 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 70.3 mt -60.51 -37.8 76.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -75.07 -26.05 59.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.588 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.57 -25.67 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -86.37 -31.91 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.196 0.522 . . . . 0.0 110.201 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.579 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 29.0 t70 -55.61 114.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.221 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.52 -38.3 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.561 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -116.03 -11.39 11.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.87 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 102.14 8.91 43.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.375 -0.917 . . . . 0.0 114.999 176.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -80.16 -5.8 56.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.339 1.07 . . . . 0.0 110.923 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.87 -0.42 82.6 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.813 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -143.56 155.14 44.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.5 140.63 16.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.639 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 9.3 t0 -111.12 175.36 5.45 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 177.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 85.1 m-85 -55.29 -51.37 80.4 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 118.61 0.641 . . . . 0.0 111.657 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 48.6 Cg_exo -57.79 -44.04 44.26 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.11 1.873 . . . . 0.0 112.188 176.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.639 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.6 mt-10 -66.38 -48.35 70.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.338 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 66.8 t80 -56.59 -45.97 81.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.25 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -66.43 -38.76 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.899 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -74.72 -45.98 40.54 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.161 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.91 0.385 . . . . 0.0 110.926 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.76 -69.1 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.911 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.677 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -55.2 -13.8 1.44 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -39.29 -50.43 2.0 Allowed 'General case' 0 C--N 1.334 -0.107 0 O-C-N 123.811 0.694 . . . . 0.0 110.868 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -129.62 -35.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.344 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.1 ptm -111.16 115.15 28.91 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.677 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 18.3 tptp -107.73 117.97 35.5 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.145 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -110.11 -123.91 0.27 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.11 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.7 m -80.45 135.1 36.08 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.697 0.399 . . . . 0.0 111.329 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 9.2 p-10 -127.73 75.6 1.61 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 122.235 1.016 . . . . 0.0 110.764 169.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 85' ' ' ILE . 42.7 t -121.6 122.75 40.34 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.06 -33.55 70.92 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.381 -170.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 27.5 mt-10 -55.88 -54.19 47.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.999 173.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.63 -40.97 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.591 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 39.3 mm -64.98 -39.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.729 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 21.3 ttm180 -67.22 -39.67 86.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.1 mm-40 -59.01 -40.82 86.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.736 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -60.36 -43.55 96.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.856 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.593 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 15.6 m-85 -55.86 -44.93 78.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -76.17 -24.3 54.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.279 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.471 HG12 HG21 ' A' ' 108' ' ' VAL . 30.6 t -78.03 -49.99 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.642 ' HA ' HG11 ' A' ' 108' ' ' VAL . 12.0 m-85 -62.77 -48.66 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.688 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.895 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.2 t70 -64.26 149.2 48.52 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.522 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.512 ' HE2' ' CA ' ' A' ' 113' ' ' GLY . 99.3 mttt -71.31 -40.07 71.04 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.195 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.17 1.73 42.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.492 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.09 32.99 13.24 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.899 -0.591 . . . . 0.0 113.942 -171.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -77.06 19.94 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 117.988 0.894 . . . . 0.0 113.194 -174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.4 22.6 64.6 Favored Glycine 0 C--O 1.228 -0.236 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.229 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 93' ' ' ASP . 55.0 m-85 -148.5 153.36 38.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.653 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.0 mt -118.17 107.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.929 0.395 . . . . 0.0 110.471 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 21.9 t -104.24 173.69 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.213 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 105' ' ' LEU . . . -63.88 -53.35 51.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.663 0.268 . . . . 0.0 111.344 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.41 -39.68 57.75 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.967 0.413 . . . . 0.0 111.669 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.895 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.0 mm-40 -66.94 -39.23 87.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.001 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 109' ' ' MET . 21.0 mt -52.82 -44.78 66.93 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.776 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.56 ' HB3' ' HB3' ' A' ' 111' ' ' ASN . 49.8 mtt180 -71.19 -36.71 72.03 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.463 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.975 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 22.3 t60 -49.29 -52.83 25.16 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.357 0.599 . . . . 0.0 111.555 174.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.7 p -86.89 -38.73 12.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.22 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.683 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.0 ttt -71.31 -71.69 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.402 -169.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -128.13 -34.07 2.14 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 5.5 t30 -98.98 -174.75 2.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -170.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.518 ' H ' ' ND2' ' A' ' 111' ' ' ASN . 26.7 tp -101.17 129.01 47.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.975 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.441 -0.973 0 CA-C-O 117.608 -1.662 . . . . 0.0 111.674 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.85 0.357 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.51 136.09 35.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.095 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 103' ' ' ALA . 3.1 mm? -61.8 -40.8 96.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.897 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 110.291 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.5 -48.75 79.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.626 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.48 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 12.6 tpt -67.79 -31.96 72.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.668 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.608 HG13 ' HB3' ' A' ' 102' ' ' ALA . 70.6 mt -62.68 -46.07 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 53' ' ' ASN . 12.0 m120 -62.52 -31.02 71.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.994 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -81.48 -31.39 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.84 -31.16 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.48 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 28.2 t0 -60.36 87.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.624 0.726 . . . . 0.0 112.247 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.41 -40.53 50.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.782 -1.099 . . . . 0.0 113.057 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 39.1 m-20 -89.66 -18.55 26.26 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.206 -177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 93.37 3.4 65.01 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.369 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.569 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 5.6 p-10 -77.21 -0.21 24.28 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.85 84.42 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.039 -0.601 . . . . 0.0 113.363 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 60' ' ' ASN . 5.5 t -159.65 163.79 34.61 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -82.01 135.24 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.664 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 0.8 OUTLIER -111.53 175.58 5.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 81.7 m-85 -53.54 -51.29 77.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 52.5 Cg_exo -58.25 -41.58 65.19 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.735 1.623 . . . . 0.0 112.38 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.689 ' HB3' HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.92 -54.21 45.09 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' HA ' HD13 ' A' ' 63' ' ' ILE . 51.7 t80 -57.62 -45.05 85.86 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.91 -176.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.561 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -76.06 -42.08 48.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.872 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -64.17 -31.4 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.309 175.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 76' ' ' MET . 23.7 ttt -69.93 -67.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.648 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -52.82 -15.31 0.71 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -45.21 -50.88 11.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 175.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -48.78 2.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.227 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 72' ' ' MET . 24.7 mmt -107.04 111.25 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.286 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.648 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 13.5 tptp -112.64 115.52 28.71 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.462 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.79 -74.03 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -120.08 128.87 53.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.129 -178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -126.75 77.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.239 1.019 . . . . 0.0 110.436 170.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.508 ' O ' HG12 ' A' ' 85' ' ' ILE . 31.7 t -114.56 119.4 36.67 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 170.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.12 -36.34 63.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.278 -170.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 6.6 pt-20 -64.29 -46.68 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.76 0.314 . . . . 0.0 111.153 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 15.6 tp10 -68.88 -39.12 79.96 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.9 mm -67.32 -39.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.913 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 7.4 tmm_? -63.98 -41.42 97.53 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.249 0.547 . . . . 0.0 109.783 176.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -67.32 -33.4 75.19 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.582 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.427 ' O ' ' HD2' ' A' ' 92' ' ' PHE . . . -65.63 -40.46 92.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 175.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' HA ' HD11 ' A' ' 100' ' ' ILE . 8.5 m-85 -55.28 -41.15 71.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 68.6 mtp180 -73.06 -29.95 63.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.337 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.9 t -78.83 -49.52 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.491 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' HA ' HG11 ' A' ' 108' ' ' VAL . 55.8 m-85 -63.04 -44.31 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 0.0 110.784 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.876 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.6 t0 -65.24 142.49 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.545 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -87.74 -31.28 19.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.389 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -103.63 -4.97 23.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.615 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 53.56 38.36 58.18 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.004 -0.998 . . . . 0.0 115.126 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.506 HD21 ' HB2' ' A' ' 99' ' ' TYR . 3.3 p-10 -73.53 -1.91 20.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.937 1.369 . . . . 0.0 112.033 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.22 22.28 27.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.614 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.506 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.6 m-85 -151.07 143.62 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.664 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 69.3 mt -108.25 103.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.542 0.687 . . . . 0.0 111.122 -171.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.748 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 15.1 m -103.17 176.36 5.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.496 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -60.59 -54.43 45.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -49.91 -42.29 47.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.876 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER -62.09 -46.46 88.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.618 ' O ' ' HB2' ' A' ' 109' ' ' MET . 43.7 mt -61.36 -51.38 69.04 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.071 -176.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.699 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 9.7 mtp85 -69.26 -22.37 63.84 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.935 -176.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.586 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 48.0 t-80 -73.93 -38.93 64.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.52 0.676 . . . . 0.0 109.822 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -87.71 -32.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.466 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.618 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.8 tmm? -81.02 -74.89 0.3 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.692 -166.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' SD ' ' A' ' 109' ' ' MET . 9.8 p -132.0 -28.57 1.74 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.355 0.98 . . . . 0.0 112.715 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 14.0 m120 -85.1 -165.98 1.37 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.955 -171.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 95.2 mt -41.54 114.26 0.5 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.021 0.826 . . . . 0.0 112.336 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.367 -1.241 . . . . 0.0 111.497 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.664 'CA ' ' OD2' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.602 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 9.0 tp10 -90.54 112.38 24.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.454 0.645 . . . . 0.0 110.775 -177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 52' ' ' ILE . 2.3 mm? -77.77 -27.29 50.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.053 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.98 -36.18 83.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.401 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 16.7 t70 -66.63 -40.31 88.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.573 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 1.1 tpt -66.27 -33.62 76.15 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 79.2 mt -65.27 -44.2 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.633 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -34.64 68.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.212 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.02 -34.58 61.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.594 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 63' ' ' ILE . 1.2 p -94.19 -30.56 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.182 0.515 . . . . 0.0 111.785 -171.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -64.09 89.36 0.06 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.401 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.677 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -80.29 -42.81 22.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.646 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.14 -19.04 44.37 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.817 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.01 10.33 75.46 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.084 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.463 HD21 ' CG ' ' A' ' 64' ' ' ASP . 32.6 p-10 -85.57 -2.66 58.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.857 0.36 . . . . 0.0 111.395 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 12.92 69.58 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.821 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 t -157.83 151.74 24.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -77.33 139.78 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 3.0 m-20 -114.31 -179.02 3.51 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 70.6 m-85 -54.89 -50.08 88.2 Favored Pre-proline 0 C--N 1.317 -0.829 0 C-N-CA 120.384 -0.526 . . . . 0.0 111.08 173.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.52 -54.17 5.35 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.075 1.85 . . . . 0.0 112.981 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 36.4 mt-10 -61.91 -50.5 71.93 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HD1' HG21 ' A' ' 63' ' ' ILE . 36.7 t80 -59.91 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 -173.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 85' ' ' ILE . 4.2 mm? -69.47 -47.09 65.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.3 m -69.92 -44.51 69.48 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.325 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -67.66 -22.82 65.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.489 175.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 76' ' ' MET . 50.2 ttm -68.21 -68.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 170.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.18 -15.78 1.71 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.726 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.504 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 61.8 ttt180 -42.3 -51.47 4.8 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.682 0.614 . . . . 0.0 110.402 174.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 75' ' ' LYS . 42.6 mtpt -131.35 -47.85 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.563 173.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.45 ' O ' ' HG2' ' A' ' 72' ' ' MET . 19.0 ttt -107.62 117.47 34.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.783 -169.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.691 ' HE2' ' OG1' ' A' ' 79' ' ' THR . 16.8 tptm -106.15 117.31 33.7 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.907 176.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -155.91 76.15 0.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.691 ' OG1' ' HE2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -107.47 172.74 6.66 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.246 -172.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -121.91 -176.17 3.27 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.513 158.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.2 m -53.01 148.91 7.17 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 123.574 0.546 . . . . 0.0 111.559 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -48.9 -44.1 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.319 0.581 . . . . 0.0 110.864 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.28 -38.98 88.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.71 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.47 -36.25 78.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.188 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 79' ' ' THR . 47.7 mm -64.95 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.515 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HG2' ' CE1' ' A' ' 65' ' ' PHE . 97.9 mtt180 -65.59 -35.87 82.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.108 0.48 . . . . 0.0 110.346 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.6 mm-40 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.84 70.65 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.105 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HA ' HD11 ' A' ' 100' ' ' ILE . 11.8 m-85 -55.78 -35.09 65.89 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.432 0.634 . . . . 0.0 110.419 173.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 75.7 ttt180 -69.97 -36.06 74.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.394 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.3 t -88.47 -26.56 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' C ' HG11 ' A' ' 108' ' ' VAL . 37.6 m-85 -86.15 15.75 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.341 0.591 . . . . 0.0 110.812 178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.877 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 49.1 t0 -130.21 145.73 51.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 78.3 mttt -70.67 -35.84 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.734 0.778 . . . . 0.0 109.337 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.48 1.94 13.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 112.383 -172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.41 48.85 6.99 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.631 -0.713 . . . . 0.0 114.837 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.7 p-10 -76.36 3.62 10.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.573 1.186 . . . . 0.0 111.759 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.57 21.46 31.6 Favored Glycine 0 C--O 1.228 -0.235 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.275 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 97' ' ' ASN . 64.7 m-85 -149.8 145.14 26.44 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.558 ' HB ' HG22 ' A' ' 63' ' ' ILE . 74.7 mt -110.09 102.47 14.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.229 0.538 . . . . 0.0 109.923 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.9 t -101.24 166.01 10.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.42 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.749 0.309 . . . . 0.0 110.736 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.89 -48.7 42.11 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.841 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.877 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.9 mm-40 -60.13 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.86 -48.21 82.16 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.317 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HD2' HD11 ' A' ' 48' ' ' LEU . 85.4 mtt180 -70.11 -57.38 5.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -173.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.592 ' HA ' ' O ' ' A' ' 111' ' ' ASN . 5.3 t-80 -57.05 -35.83 69.8 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.41 0.444 . . . . 0.0 111.642 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG11 ' C ' ' A' ' 92' ' ' PHE . 2.2 p -84.43 -43.19 17.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.38 -174.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.8 tpt -75.11 -71.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -130.59 -43.05 1.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.592 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 13.1 m120 -115.51 -169.46 1.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 111.175 -167.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -79.45 133.81 36.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 169.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.443 -0.853 0 CA-C-O 117.785 -1.564 . . . . 0.0 110.614 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.635 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.697 0.284 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -77.07 133.56 39.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.446 . . . . 0.0 110.136 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.601 ' O ' HG13 ' A' ' 52' ' ' ILE . 41.0 mt -63.33 -39.14 93.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.641 -173.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.51 -39.7 81.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 109.906 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.83 -43.89 97.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.75 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.2 tpt -61.64 -32.72 72.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.414 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 48' ' ' LEU . 77.6 mt -65.93 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.464 0.65 . . . . 0.0 109.452 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.01 -22.77 58.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.674 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.96 -30.11 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.089 0.471 . . . . 0.0 110.677 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -79.4 -32.92 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.05 119.49 8.44 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 122.174 0.988 . . . . 0.0 111.214 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.96 -40.46 7.64 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.541 -1.663 . . . . 0.0 110.108 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -100.2 -19.96 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.862 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.99 76.17 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.826 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -145.54 -14.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.679 -0.76 . . . . 0.0 111.498 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 0.3 54.37 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.843 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -161.01 -177.1 5.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.788 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.62 142.9 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 165.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 27.4 t0 -111.82 177.16 4.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.661 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 65.4 m-85 -55.08 -55.93 33.69 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 118.521 0.6 . . . . 0.0 111.842 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.0 Cg_exo -56.04 -39.93 88.12 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.064 1.843 . . . . 0.0 112.695 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 44.0 mt-10 -63.17 -52.48 62.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.782 0.325 . . . . 0.0 110.296 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.496 ' HA ' HD13 ' A' ' 63' ' ' ILE . 67.9 t80 -59.99 -50.01 75.41 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.07 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -57.56 -41.32 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 27.3 m -73.73 -41.69 62.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.678 -176.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.7 mmt -75.59 -25.88 57.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttt -71.8 -68.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.661 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -53.85 -14.07 0.88 Allowed 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 173.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 70' ' ' THR . 29.1 tpt180 -52.27 -39.91 61.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 109.994 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -126.12 -53.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.46 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.1 ptm -109.54 115.33 29.72 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.268 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.661 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 19.0 tptm -113.29 126.06 54.98 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.052 -0.405 . . . . 0.0 110.914 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.82 -62.33 0.77 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.624 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.9 m -119.9 127.82 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.19 -0.319 . . . . 0.0 111.81 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -129.37 75.37 1.65 Allowed 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 121.696 0.76 . . . . 0.0 111.258 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.549 ' O ' HG12 ' A' ' 85' ' ' ILE . 36.5 m -124.01 119.56 29.89 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 167.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -52.64 -39.58 61.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.942 -166.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.53 -43.57 96.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.221 0.534 . . . . 0.0 110.828 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.3 -28.08 61.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.567 HG21 HD21 ' A' ' 69' ' ' LEU . 45.1 mm -71.48 -35.4 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -61.13 -36.8 80.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.288 0.566 . . . . 0.0 109.864 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 3.3 tp10 -71.49 -27.69 63.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.093 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -72.34 -44.29 62.84 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.841 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 18.0 m-85 -56.09 -32.32 64.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.089 0.471 . . . . 0.0 110.611 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 58.4 ttt180 -76.63 -36.15 57.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.827 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.5 p -86.74 -25.46 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.942 0.401 . . . . 0.0 110.984 -176.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.408 ' C ' HG11 ' A' ' 108' ' ' VAL . 36.0 m-85 -91.29 15.57 11.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.002 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.758 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 48.5 t0 -130.69 143.78 50.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.104 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 107' ' ' HIS . 2.6 mtpm? -69.03 -37.4 78.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.483 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.21 2.05 13.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.995 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.543 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 43.39 50.03 6.76 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -77.96 21.47 0.32 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.775 1.288 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.75 21.48 78.54 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.191 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.482 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.7 m-85 -152.52 147.11 25.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 79.8 mt -109.97 103.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.217 0.532 . . . . 0.0 110.666 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.76 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 8.0 m -101.21 163.17 12.41 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -57.68 -53.71 55.11 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.545 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -50.64 -41.89 55.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.706 175.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.76 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 2.1 mm-40 -63.19 -46.12 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 9.7 mt -55.52 -48.3 74.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.824 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 48' ' ' LEU . 68.8 mtt180 -78.97 -53.85 6.62 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.522 -173.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -53.38 -38.17 63.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.864 -176.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 104' ' ' GLU . 7.6 p -85.36 -45.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.895 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -74.52 -60.51 2.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.532 -170.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.0 m -124.65 -37.39 2.49 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.851 -0.531 . . . . 0.0 112.17 -173.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -77.09 -174.5 3.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.08 134.43 56.43 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.832 -0.982 . . . . 0.0 112.212 178.819 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.595 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.184 0.516 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.39 143.34 28.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.323 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD21 ' HD2' ' A' ' 106' ' ' ARG . 75.8 mt -70.14 -21.07 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.218 -175.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 8.9 tp-100 -68.32 -41.12 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.316 175.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -64.14 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 110.339 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.657 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.3 tpt -67.08 -31.64 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.697 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 48' ' ' LEU . 74.0 mt -63.34 -46.77 94.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.38 -24.77 66.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.789 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.6 -35.94 57.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 0.0 110.543 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -97.47 -31.05 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.289 -170.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -70.99 81.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.977 0.894 . . . . 0.0 112.014 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -76.16 -39.33 55.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.205 -1.361 . . . . 0.0 112.44 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.597 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 1.4 p-10 -90.18 -19.52 24.13 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.121 -175.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 7.04 52.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.664 -0.779 . . . . 0.0 114.588 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.522 HD21 ' CG ' ' A' ' 64' ' ' ASP . 20.0 p30 -80.8 -8.89 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 118.249 1.025 . . . . 0.0 111.587 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.51 15.71 45.79 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 t -159.23 160.31 35.2 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.684 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.1 tt -80.55 144.05 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.646 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.8 m-20 -115.28 177.96 4.46 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.2 m-85 -58.93 -51.67 80.24 Favored Pre-proline 0 C--N 1.32 -0.682 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.41 172.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 84.5 Cg_exo -50.22 -52.15 9.52 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.103 1.869 . . . . 0.0 112.671 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.646 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 58.9 mt-10 -64.01 -54.65 30.94 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.507 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' HD1' HD13 ' A' ' 63' ' ' ILE . 57.9 t80 -60.98 -49.01 79.2 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.374 0.131 . . . . 0.0 111.095 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 69' ' ' LEU . 3.6 mm? -59.19 -42.82 91.77 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.4 m -75.23 -43.41 51.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.142 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.795 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 96.3 mmm -66.69 -27.96 68.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.346 0.259 . . . . 0.0 111.019 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 76' ' ' MET . 19.4 ttt -68.5 -66.65 0.54 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 170.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.68 -14.91 0.14 Allowed 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.795 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 22.5 mmt180 -46.49 -48.83 19.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.323 0.583 . . . . 0.0 109.692 175.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -131.65 -35.86 1.26 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.758 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.484 ' O ' ' HG2' ' A' ' 72' ' ' MET . 25.1 mmt -102.85 114.68 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 mmpt? -113.41 116.83 30.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 166.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.45 -87.81 0.63 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.734 0.302 . . . . 0.0 110.764 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.0 m -101.5 114.02 27.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.71 72.72 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.12 -1.032 . . . . 0.0 110.822 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -138.63 131.91 30.13 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 163.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.33 -33.68 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.531 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 7.1 mp0 -59.45 -49.52 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.56 . . . . 0.0 110.284 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.556 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 43.0 mm -67.76 -35.6 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.817 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 86' ' ' ARG . 32.5 ttp180 -70.87 -37.6 73.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.775 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.2 mt-10 -68.23 -29.4 68.21 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -65.48 -41.38 93.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 172.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.606 ' HA ' HD11 ' A' ' 100' ' ' ILE . 10.5 m-85 -53.83 -46.69 71.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.483 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 90' ' ' ARG . 3.0 ptm180 -73.85 -26.12 60.41 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.138 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.1 t -80.12 -48.67 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.702 ' HA ' HG11 ' A' ' 108' ' ' VAL . 26.2 m-85 -60.45 -40.73 92.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.917 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 15.9 t70 -63.43 139.48 58.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.07 0.462 . . . . 0.0 111.306 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -78.58 -34.58 46.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.676 -176.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.607 ' OD1' 'CA ' ' A' ' 300' ' ' ' CA' . 0.0 OUTLIER -93.99 3.7 54.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.577 179.065 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.66 29.57 25.62 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-O 119.616 -0.547 . . . . 0.0 114.002 -172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.9 0.64 23.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.249 1.025 . . . . 0.0 112.91 -174.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.95 -22.18 42.11 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 114.392 170.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.07 159.56 15.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 117.13 0.465 . . . . 0.0 110.588 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.684 ' HB ' HG22 ' A' ' 63' ' ' ILE . 50.0 mt -112.29 102.26 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.133 0.492 . . . . 0.0 110.543 -177.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.873 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 14.7 m -94.85 -179.9 5.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 174.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -65.73 -56.56 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -171.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -51.48 -31.77 24.76 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.141 0.496 . . . . 0.0 111.844 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.917 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.2 mm-40 -62.78 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.6 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.1 mm? -52.12 -48.31 64.87 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.074 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.689 ' HD2' HD21 ' A' ' 48' ' ' LEU . 36.6 mtt180 -69.57 -43.08 73.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.431 -173.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.948 ' HB2' ' HA2' ' A' ' 113' ' ' GLY . 19.2 t60 -49.32 -48.52 46.33 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.373 0.606 . . . . 0.0 111.37 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.702 HG11 ' HA ' ' A' ' 92' ' ' PHE . 10.0 p -85.59 -35.49 9.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 -172.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.604 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.11 -73.87 0.29 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.675 -170.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 t -132.05 -14.57 3.05 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 10.9 m120 -116.78 -175.2 2.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 -174.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -106.58 104.78 14.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.679 0.752 . . . . 0.0 109.834 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.948 ' HA2' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.442 -0.92 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.037 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.605 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.607 'CA ' ' OD1' ' A' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.92 87.01 4.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 0.0 111.135 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 106' ' ' ARG . 81.9 mt -73.81 -33.2 64.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.659 176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.97 -33.82 73.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.443 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -56.15 -53.15 60.57 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.562 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.4 -30.8 70.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.243 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 48' ' ' LEU . 80.1 mt -64.18 -48.87 83.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -28.74 67.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.922 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -81.57 -46.47 14.39 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.585 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.0 t -83.25 -31.17 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 25.7 t0 -69.77 79.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.307 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.94 67.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.34 -1.3 . . . . 0.0 113.278 -175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -100.82 -17.7 16.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.682 0.277 . . . . 0.0 111.653 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 96.69 4.59 59.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.352 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -79.75 -5.26 54.93 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.316 0.558 . . . . 0.0 111.338 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 90.32 9.82 64.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.269 173.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -160.07 169.42 23.4 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.228 0.537 . . . . 0.0 110.156 -172.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.1 139.77 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 169.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.563 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 51.8 t0 -111.96 177.75 4.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 75.7 m-85 -54.25 -50.87 82.28 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 118.161 0.437 . . . . 0.0 112.142 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 42.8 Cg_exo -57.9 -43.58 47.76 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.795 1.663 . . . . 0.0 112.249 175.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.8 mt-10 -62.25 -52.78 62.37 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 63' ' ' ILE . 22.3 t80 -58.24 -49.51 76.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.427 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 69' ' ' LEU . 7.9 mt -66.11 -39.1 89.67 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.651 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -71.38 -48.7 48.3 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.87 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 74' ' ' ARG . 22.9 mmt -66.56 -32.89 74.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.447 0.299 . . . . 0.0 111.7 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 56.9 ttm -63.38 -68.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 -15.5 9.35 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' MET . 77.4 ttt180 -51.83 -49.96 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 110.701 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.32 -43.68 1.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.265 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtt -78.66 -176.71 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -59.18 156.51 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.977 176.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -97.78 139.33 33.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 170.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -120.24 91.79 3.62 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -82.47 95.39 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.517 ' O ' HG12 ' A' ' 85' ' ' ILE . 55.4 m -164.55 67.51 0.15 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -170.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -49.0 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.066 -166.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.14 -37.14 84.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.0 111.416 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.68 -35.91 81.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 21.1 mm -71.93 -33.99 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -61.82 -40.86 96.73 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 110.111 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.9 mm-40 -73.0 -26.22 61.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.676 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.484 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -69.5 -44.98 69.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 22.0 m-85 -56.43 -38.98 72.33 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.475 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -72.6 -32.96 66.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.702 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 87' ' ' GLU . 35.4 t -80.69 -48.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.544 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.739 ' HA ' HG11 ' A' ' 108' ' ' VAL . 48.3 m-85 -63.6 -42.17 98.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 110.355 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.865 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.8 t0 -65.32 142.83 58.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.03 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HB3' ' CG ' ' A' ' 107' ' ' HIS . 14.9 pttp -88.49 -25.98 22.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.77 -2.14 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.07 37.44 54.14 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.454 -0.794 . . . . 0.0 114.998 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.652 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -74.23 2.73 8.48 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.822 1.311 . . . . 0.0 111.634 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.43 22.76 33.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.533 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.652 ' HB2' HD21 ' A' ' 97' ' ' ASN . 52.5 m-85 -149.26 148.12 29.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 79.4 mt -113.45 105.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.23 0.538 . . . . 0.0 110.878 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.674 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -109.05 178.92 4.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.669 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 51' ' ' MET . . . -62.41 -54.32 41.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.736 0.303 . . . . 0.0 111.626 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.52 41.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.707 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.865 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.4 mm-40 -61.1 -48.06 83.42 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 109' ' ' MET . 12.4 mt -54.38 -49.91 68.76 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.16 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.9 mtt180 -65.67 -45.74 81.74 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.09 -175.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.622 ' CG ' ' HB3' ' A' ' 94' ' ' LYS . 17.3 t60 -49.96 -42.27 48.32 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.418 0.449 . . . . 0.0 111.67 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.739 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.3 p -85.7 -34.05 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.506 0.67 . . . . 0.0 110.52 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tpt -77.4 -74.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.384 -167.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.6 t -133.16 -10.26 2.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.639 -0.663 . . . . 0.0 112.658 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 3.3 t-20 -93.77 -173.52 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.482 -172.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.435 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -46.43 122.58 4.17 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.304 0.641 . . . . 0.0 111.319 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.441 -1.199 . . . . 0.0 111.907 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 2.0 pm0 -66.43 136.96 56.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.681 0.753 . . . . 0.0 111.167 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HG3' ' A' ' 106' ' ' ARG . 3.0 mm? -76.23 -33.15 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.382 -172.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -62.16 -32.42 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.178 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.62 -49.95 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.0 tpt -67.21 -33.81 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.721 HG13 ' HB3' ' A' ' 102' ' ' ALA . 71.8 mt -61.84 -44.37 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.078 0 CA-C-O 121.512 0.673 . . . . 0.0 109.574 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.37 -38.12 84.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.127 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.9 -36.68 72.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.209 0.528 . . . . 0.0 111.001 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 63' ' ' ILE . 43.2 t -92.46 -30.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.683 -168.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -57.58 122.13 11.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.74 -28.45 15.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.38 -170.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -112.49 -4.12 14.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.347 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.75 73.31 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.276 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -85.39 4.1 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 -4.91 57.59 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.878 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -160.2 176.0 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.295 0.569 . . . . 0.0 110.696 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.79 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.2 mt -93.79 139.08 18.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -108.68 174.73 5.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 63.2 m-85 -53.71 -52.52 66.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.018 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 64' ' ' ASP . 75.8 Cg_exo -52.7 -50.58 13.56 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.093 1.862 . . . . 0.0 112.615 173.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.601 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.06 -51.48 69.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 48.1 t80 -57.89 -49.17 77.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.633 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 85' ' ' ILE . 4.3 mm? -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.808 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.7 m -69.37 -45.59 68.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.591 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 93.2 mmm -71.16 -18.88 62.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.442 175.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' A' ' 76' ' ' MET . 20.9 ttt -73.06 -68.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' HA ' ' HG2' ' A' ' 77' ' ' LYS . . . -52.71 -16.98 1.11 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.517 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.591 ' HB2' ' HA ' ' A' ' 71' ' ' MET . 15.8 tpt180 -45.93 -46.78 16.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.529 0.681 . . . . 0.0 109.38 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -130.35 -51.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.952 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.645 ' O ' ' HG2' ' A' ' 72' ' ' MET . 27.7 ttt -108.91 113.27 26.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.474 -169.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HG2' ' HA ' ' A' ' 73' ' ' ALA . 4.3 mmtp -113.29 128.78 56.58 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.779 -0.575 . . . . 0.0 111.26 175.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -136.71 -83.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.38 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.66 115.46 23.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.667 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -128.62 72.98 1.47 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.012 0.911 . . . . 0.0 110.61 167.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.588 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 48.8 m -143.41 134.55 25.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 162.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 45.2 mt-10 -54.95 -34.8 63.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.216 -165.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -56.14 -51.92 66.2 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' OE2' ' HB2' ' A' ' 81' ' ' SER . 1.9 mp0 -65.47 -39.33 91.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.884 0.374 . . . . 0.0 110.019 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 69' ' ' LEU . 38.2 mm -65.1 -38.36 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.513 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 20.4 mmm180 -60.77 -43.87 97.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.16 0.505 . . . . 0.0 110.262 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 90' ' ' ARG . 7.6 tp10 -68.63 -31.5 70.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.204 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.2 58.46 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.671 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.0 m-85 -57.04 -30.54 64.33 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.159 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' A' ' 87' ' ' GLU . 57.9 ttt180 -77.02 -33.94 57.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.939 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' GLU . 77.4 t -86.72 -37.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.99 0.424 . . . . 0.0 111.572 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 108' ' ' VAL . 28.5 m-85 -79.25 14.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.464 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.907 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 34.9 t0 -131.68 150.11 52.26 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.758 ' HG2' ' HB2' ' A' ' 107' ' ' HIS . 83.1 mttt -71.64 -37.57 70.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.787 0.803 . . . . 0.0 109.627 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.09 -1.06 12.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.145 -171.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.2 46.12 15.71 Favored Glycine 0 CA--C 1.523 0.539 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.942 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.574 HD22 ' HD2' ' A' ' 99' ' ' TYR . 3.6 p-10 -75.69 18.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.816 1.308 . . . . 0.0 112.648 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.27 78.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.914 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.574 ' HD2' HD22 ' A' ' 97' ' ' ASN . 83.3 m-85 -147.59 137.98 23.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 75.8 mt -109.22 102.42 13.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.314 0.578 . . . . 0.0 110.63 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.533 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 26.5 t -110.43 166.26 11.13 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.721 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -65.37 -14.31 60.55 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 -168.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.13 -37.38 17.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.907 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 4.0 mm-40 -61.69 -38.18 86.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.797 174.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.614 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.2 mm? -54.24 -44.14 71.5 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.696 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 48' ' ' LEU . 32.4 mmt180 -59.21 -48.95 79.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.758 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 51.6 t-80 -49.27 -50.18 40.11 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.652 0.595 . . . . 0.0 112.417 177.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.511 ' CB ' ' HA ' ' A' ' 92' ' ' PHE . 8.7 p -84.41 -35.0 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.266 0.555 . . . . 0.0 111.357 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.614 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 4.7 tmm? -81.09 -72.68 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.102 -167.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 p -129.53 -25.93 2.57 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 62.1 t30 -88.58 -173.56 4.2 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 122.214 -0.304 . . . . 0.0 111.057 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 70.9 mt -46.59 131.11 11.37 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.457 0.703 . . . . 0.0 112.564 -175.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.629 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.251 1.218 0 CA-C-O 118.348 -1.251 . . . . 0.0 111.71 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 120.938 0.399 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -81.55 135.03 35.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? -65.98 -3.42 5.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -171.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.53 -50.42 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.181 0.446 . . . . 0.0 110.307 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.95 -34.26 77.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.285 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.3 tpp -66.42 -30.93 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.25 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 48' ' ' LEU . 84.3 mt -63.27 -44.95 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -66.8 -25.21 66.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.563 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -86.61 -41.78 13.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 111.657 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.6 t -88.6 -32.26 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -172.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.91 124.57 20.59 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.129 0.49 . . . . 0.0 109.872 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.43 -29.9 13.67 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.435 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -113.34 -13.13 12.93 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.362 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.93 20.09 63.97 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.997 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -79.08 -2.18 39.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.526 0.663 . . . . 0.0 111.498 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.5 2.44 61.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.294 -0.479 . . . . 0.0 112.138 176.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -159.13 178.16 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.157 0.503 . . . . 0.0 110.757 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.801 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -93.77 140.21 16.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.286 169.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.579 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.4 t70 -111.96 172.48 6.88 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.541 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 51.2 m-85 -54.03 -48.41 94.1 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 118.749 0.704 . . . . 0.0 111.672 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.9 Cg_endo -55.77 -46.28 32.8 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.333 2.022 . . . . 0.0 112.638 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.3 mt-10 -61.1 -53.66 54.29 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.368 -176.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 24.7 t80 -58.89 -47.55 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -176.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.6 mt -67.74 -44.75 76.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.217 -177.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -73.85 -43.39 58.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.179 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.0 mmt -60.13 -30.28 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.755 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.0 ttm -64.53 -68.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -56.21 -16.83 5.92 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.1 -51.06 8.27 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.818 0.699 . . . . 0.0 111.139 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -129.93 -50.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.5 ttt -109.19 109.98 21.07 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.081 -175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.515 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 26.9 tptp -108.49 115.52 30.27 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.329 176.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -123.93 -61.62 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.209 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 81' ' ' SER . 1.7 m -95.71 97.95 10.09 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.124 -171.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.52 101.54 13.18 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 164.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.571 ' O ' HG12 ' A' ' 85' ' ' ILE . 74.1 m -163.61 73.2 0.3 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -164.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -52.97 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.081 -172.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.01 -43.11 81.5 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 34.3 mt-10 -64.27 -38.66 91.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.392 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.582 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 45.1 mm -62.07 -40.04 85.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -61.74 -47.34 85.69 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.797 0.808 . . . . 0.0 109.517 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.41 -37.42 83.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.107 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -46.95 86.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.701 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 25.1 m-85 -55.07 -42.47 72.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.632 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.03 -33.42 51.07 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.86 -48.72 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.626 ' HA ' HG21 ' A' ' 108' ' ' VAL . 8.7 m-85 -60.71 -38.72 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.601 -178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.785 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 21.2 t0 -61.85 143.7 55.96 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.17 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 -44.05 53.15 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 122.043 0.925 . . . . 0.0 109.325 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -100.37 -4.68 28.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.879 -1.51 . . . . 0.0 110.852 -171.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 59.14 34.51 79.93 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.291 -0.868 . . . . 0.0 114.941 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.456 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.1 p-10 -74.5 7.41 2.95 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.974 1.387 . . . . 0.0 112.349 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.53 23.61 42.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.439 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.701 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 55.3 m-85 -150.72 150.91 31.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 72.9 mt -111.13 102.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.247 0.546 . . . . 0.0 110.986 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.706 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.4 m -98.67 165.95 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -55.98 -48.86 75.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.708 0.289 . . . . 0.0 110.976 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.713 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.65 -46.49 63.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.834 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.785 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -60.07 -42.01 93.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.18 -47.77 84.08 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.392 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 24.8 ptt180 -56.16 -48.91 75.4 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.987 ' HB2' ' HA2' ' A' ' 113' ' ' GLY . 8.5 t60 -50.24 -54.18 22.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.699 0.624 . . . . 0.0 112.584 177.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 92' ' ' PHE . 12.7 p -84.85 -33.42 8.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.145 -169.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 ttp -76.43 -73.2 0.29 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.95 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -132.38 -37.75 1.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.2 m120 -96.07 -173.87 2.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 2.9 pp -69.16 154.24 42.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.756 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.987 ' HA2' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.876 -0.958 . . . . 0.0 111.174 173.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.127 0.489 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.4 pm0 -83.09 115.14 21.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.301 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.042 HD13 ' HA ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -64.23 2.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -169.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.543 ' OE1' HD12 ' A' ' 52' ' ' ILE . 12.3 mm100 -57.49 -26.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.944 0.338 . . . . 0.0 110.802 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 7.9 p-10 -60.17 -51.78 68.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.546 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.484 ' HB3' HD23 ' A' ' 48' ' ' LEU . 24.3 ttt -70.38 -27.28 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 102' ' ' ALA . 10.9 mt -65.23 -40.0 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.917 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.14 -16.6 59.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 21.9 mm-40 -81.65 -15.54 54.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.297 . . . . 0.0 111.368 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -111.95 -30.63 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 11.8 p-10 -62.77 79.64 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.906 0.86 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -72.1 -32.95 67.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 9.8 m-20 -87.2 -17.57 32.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 56' ' ' ASP . . . 79.81 10.9 85.21 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.336 -170.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.92 1.18 36.44 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 111.393 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.35 90.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.536 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -148.85 148.33 29.77 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -77.72 143.85 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.635 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 2.4 m-20 -113.63 175.55 5.41 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 85.5 m-85 -55.75 -50.46 86.96 Favored Pre-proline 0 C--N 1.316 -0.858 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.796 174.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 9.9 Cg_endo -53.83 -48.98 18.84 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.544 2.163 . . . . 0.0 113.179 174.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.634 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 61.7 mt-10 -65.0 -50.99 64.16 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.782 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.516 ' HD1' HG21 ' A' ' 63' ' ' ILE . 45.5 t80 -58.88 -46.26 88.26 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.4 mt -61.86 -40.83 96.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.595 178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.8 m -69.72 -44.1 71.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.108 0.48 . . . . 0.0 110.832 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.98 -33.55 76.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 ttt -75.52 -24.58 56.81 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 121.294 0.568 . . . . 0.0 109.537 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.89 -19.08 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -47.26 -51.7 18.17 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.847 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 75' ' ' LYS . 38.4 mtpt -111.32 -53.95 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.245 -0.582 . . . . 0.0 112.389 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.49 105.81 13.81 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.923 -175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -115.88 115.91 27.06 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.377 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -150.2 -39.22 0.14 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.863 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -58.92 120.27 8.74 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.275 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.87 107.9 13.71 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 162.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.711 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 57.3 m -163.87 66.02 0.17 Allowed 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -166.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.3 tt0 -53.57 -49.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -37.39 82.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.55 0.214 . . . . 0.0 111.139 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.711 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 28.5 mt-10 -67.3 -37.1 82.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.539 0.209 . . . . 0.0 110.927 176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 81' ' ' SER . 47.2 mm -65.04 -38.17 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 90.5 mtt180 -66.81 -41.97 86.68 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.278 0.561 . . . . 0.0 109.851 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -60.22 -42.97 96.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.315 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.67 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.752 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 9.0 m-85 -58.37 -34.33 70.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.452 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -71.91 -38.84 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.993 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.708 ' O ' HG21 ' A' ' 108' ' ' VAL . 71.5 t -75.12 -45.15 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.956 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.832 ' HA ' HG11 ' A' ' 108' ' ' VAL . 54.0 m-85 -77.73 16.69 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.848 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 43.4 t0 -125.17 139.74 53.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 4.9 mtpm? -72.88 -34.38 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.55 12.69 12.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.891 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 42.35 45.44 5.31 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.458 HD21 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -78.84 5.12 12.15 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.357 1.079 . . . . 0.0 111.462 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.78 22.88 34.82 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.285 -0.959 . . . . 0.0 112.483 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.4 m-85 -150.71 144.23 25.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 109.95 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 89' ' ' PHE . 71.2 mt -109.46 103.95 16.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 -173.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.746 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 30.5 t -106.02 -178.84 3.77 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.3 -54.87 14.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 1.042 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.53 -43.67 56.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 110.979 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.848 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -57.23 -52.95 63.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.725 176.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 109' ' ' MET . 27.0 tp -59.37 -50.44 73.96 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.723 -173.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CD ' HD21 ' A' ' 48' ' ' LEU . 74.5 mtt180 -62.24 -57.01 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.649 -175.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.711 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 53.3 t-80 -50.62 -40.65 53.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.826 0.704 . . . . 0.0 111.687 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -86.72 -38.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.151 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 40.0 ttp -69.8 -73.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.559 -174.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 m -134.26 -43.46 0.78 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 11.7 m120 -105.62 -172.59 2.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.687 -166.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.96 140.4 39.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.331 0.586 . . . . 0.0 110.081 173.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.711 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 N--CA 1.441 -0.974 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.635 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.607 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 9.4 pt-20 -85.14 62.08 7.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.164 0.507 . . . . 0.0 111.699 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 106' ' ' ARG . 18.5 mt -78.33 -39.34 39.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 121.806 -0.559 . . . . 0.0 110.756 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -57.06 -37.57 72.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.799 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.605 ' HB2' ' HB2' ' A' ' 47' ' ' GLU . 12.4 m-20 -60.7 -53.58 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.525 176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 55' ' ' VAL . 15.6 tpt -61.72 -38.62 88.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.76 HG13 ' HB3' ' A' ' 102' ' ' ALA . 31.2 mt -57.24 -43.13 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.469 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.433 HD22 HG22 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -82.6 -22.34 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.417 -172.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -79.39 -33.85 42.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.256 0.55 . . . . 0.0 110.163 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 51' ' ' MET . 23.2 t -91.58 -30.42 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.361 -176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 33.9 t0 -61.24 120.9 11.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.391 0.615 . . . . 0.0 110.078 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.67 -31.73 12.12 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.542 -171.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -107.95 -14.72 14.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.369 -174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 20.46 59.85 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.198 -1.001 . . . . 0.0 114.067 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -79.97 -1.66 40.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 111.333 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.65 63.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.459 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.0 t -159.86 178.68 9.51 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.138 0.494 . . . . 0.0 110.424 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -94.46 141.2 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 170.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.552 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.0 t70 -112.16 174.87 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 43.1 m-85 -54.68 -50.99 82.55 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 118.678 0.672 . . . . 0.0 111.261 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.2 Cg_exo -54.87 -46.35 33.96 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.981 1.787 . . . . 0.0 112.606 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 39.8 mt-10 -61.23 -53.39 57.53 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -56.25 -46.02 79.79 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.426 0.454 . . . . 0.0 111.006 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD21 HG21 ' A' ' 85' ' ' ILE . 3.9 mm? -65.03 -42.57 94.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.1 m -72.01 -44.61 63.18 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.887 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 mmt -64.25 -30.0 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.384 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 76' ' ' MET . 20.9 ttt -65.71 -66.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 172.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.756 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -52.91 -16.26 0.98 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.89 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -47.71 -49.73 27.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.139 0.495 . . . . 0.0 109.743 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -115.2 -53.81 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.28 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 72' ' ' MET . 92.9 mmm -113.74 114.19 26.0 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.632 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.756 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 24.0 tptp -110.73 114.24 27.46 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.349 -0.94 . . . . 0.0 110.446 171.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -175.85 86.85 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.649 ' CG2' HD11 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -119.75 170.56 9.1 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.968 0.889 . . . . 0.0 112.514 -172.009 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 84' ' ' GLU . 3.5 m-20 -88.05 -168.7 2.3 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.095 165.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.418 ' O ' HG12 ' A' ' 85' ' ' ILE . 76.5 p -65.79 162.21 19.26 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.851 -178.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.86 -32.64 70.88 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 48.0 mt-10 -57.55 -43.73 84.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.304 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.646 ' HG3' ' HB3' ' A' ' 80' ' ' ASP . 59.4 mm-40 -65.53 -35.34 80.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 109.965 176.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.649 HD11 ' CG2' ' A' ' 79' ' ' THR . 39.4 mm -68.66 -40.33 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.331 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 18.9 ptp180 -66.85 -35.54 80.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.604 -0.439 . . . . 0.0 109.931 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' GLU . 43.0 mt-10 -67.61 -33.66 75.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.76 85.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 18.3 m-85 -57.34 -37.01 71.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.259 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -76.13 -34.34 59.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.373 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 108' ' ' VAL . 90.9 t -86.32 -38.76 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' HA ' HG11 ' A' ' 108' ' ' VAL . 39.5 m-85 -72.28 -30.31 64.7 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.174 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.914 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.5 t70 -71.9 148.4 46.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.832 170.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.776 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 98.6 mttt -66.87 -44.98 79.51 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.176 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -110.53 15.29 22.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.449 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.45 39.87 15.32 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.257 -0.883 . . . . 0.0 114.975 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -77.78 21.13 0.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.754 1.277 . . . . 0.0 112.581 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.61 22.6 74.87 Favored Glycine 0 CA--C 1.516 0.147 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.588 173.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.609 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.2 m-85 -147.32 146.29 29.65 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 76.5 mt -110.21 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.747 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 19.3 m -100.84 158.9 15.63 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -52.68 -53.35 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.266 . . . . 0.0 111.419 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.593 ' O ' ' HA3' ' A' ' 113' ' ' GLY . . . -49.54 -46.21 48.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.957 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.914 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -64.34 -47.18 80.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 109' ' ' MET . 62.7 tp -55.19 -40.02 70.25 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.217 -175.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.795 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.3 mtt180 -78.58 -57.77 3.6 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.444 -175.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.642 ' HB2' ' CA ' ' A' ' 113' ' ' GLY . 5.6 t60 -55.37 -35.18 64.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.502 0.501 . . . . 0.0 111.653 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' ' 92' ' ' PHE . 2.5 p -85.36 -44.29 17.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.729 -177.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.456 ' SD ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -75.57 -75.13 0.19 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.456 HG23 ' SD ' ' A' ' 109' ' ' MET . 1.2 p -134.1 -43.85 0.79 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.506 ' HB3' ' HB3' ' A' ' 106' ' ' ARG . 6.4 t-20 -92.53 -172.47 3.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.466 -168.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 133.99 34.61 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.45 0.643 . . . . 0.0 109.614 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.779 ' HA2' HD11 ' A' ' 48' ' ' LEU . . . . . . . . 0 N--CA 1.437 -1.268 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.947 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.612 'CA ' ' OD1' ' A' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.762 0.315 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -89.48 147.03 24.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.045 HD23 ' HA ' ' A' ' 103' ' ' ALA . 16.2 tp -88.62 3.73 49.51 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 52' ' ' ILE . 9.8 tt0 -52.71 -29.98 29.77 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.13 -44.92 90.7 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.315 0.578 . . . . 0.0 110.426 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -62.87 -34.36 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.427 176.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 49' ' ' GLN . 66.2 mt -64.18 -34.58 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.817 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 53' ' ' ASN . 11.7 m120 -76.32 -22.49 54.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.76 -177.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.93 -34.5 29.84 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.249 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.07 -30.77 18.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.07 0.462 . . . . 0.0 110.344 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.4 109.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.627 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.76 -43.78 7.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.929 -171.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -125.05 -4.98 7.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.718 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.53 77.61 1.17 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.046 -174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -124.8 -29.16 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.532 -0.834 . . . . 0.0 110.247 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 -2.73 80.62 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -159.18 177.34 11.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.455 -1.373 . . . . 0.0 108.786 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.578 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -96.03 146.33 7.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 9.0 t70 -110.68 175.96 5.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 84.4 m-85 -55.71 -56.86 25.27 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 112.744 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 18.9 Cg_endo -60.62 -34.38 92.36 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.755 1.637 . . . . 0.0 112.017 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 41.9 mt-10 -72.6 -43.34 63.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.664 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' HA ' HD13 ' A' ' 63' ' ' ILE . 62.0 t80 -60.05 -42.07 93.68 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 110.208 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.2 mt -63.33 -33.35 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.322 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -80.68 -41.58 23.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.137 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG3' HD11 ' A' ' 63' ' ' ILE . 24.0 mmt -65.61 -29.38 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 174.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 76' ' ' MET . 36.5 ttm -66.16 -68.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.533 ' HB2' ' HD2' ' A' ' 77' ' ' LYS . . . -55.1 -13.83 1.36 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.102 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 3.8 tpm_? -46.41 -45.94 18.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.552 0.533 . . . . 0.0 109.666 176.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -119.19 -52.34 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.09 170.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' HG2' ' A' ' 72' ' ' MET . 23.2 ptt? -111.51 119.4 38.64 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.498 -0.126 . . . . 0.0 111.281 -171.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' HD2' ' HB2' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -93.73 114.0 26.19 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 119.639 -0.824 . . . . 0.0 109.64 173.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.83 -146.66 0.39 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 m -60.25 135.11 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 122.723 0.409 . . . . 0.0 111.085 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -128.21 76.99 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.151 0.977 . . . . 0.0 111.232 168.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 85' ' ' ILE . 13.2 p -131.72 127.76 37.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 165.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.482 ' OE2' ' HD2' ' A' ' 86' ' ' ARG . 24.7 tt0 -52.77 -42.3 64.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.017 0.823 . . . . 0.0 111.883 -164.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 5.5 mp0 -60.2 -43.59 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.551 0.215 . . . . 0.0 111.531 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -67.24 -38.99 86.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.256 0.55 . . . . 0.0 109.604 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 81' ' ' SER . 33.9 mm -67.3 -35.84 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.656 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 29.2 mtp85 -62.4 -42.72 99.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.757 177.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 36.5 tt0 -69.49 -28.62 66.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 109.906 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -69.56 -42.68 74.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.809 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.634 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.7 m-85 -54.83 -35.26 63.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 111.42 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HD3' ' HA ' ' A' ' 87' ' ' GLU . 59.6 mtp180 -71.57 -37.73 71.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.294 177.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 88' ' ' ALA . 2.4 p -86.49 -21.93 7.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -173.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.442 ' C ' HG11 ' A' ' 108' ' ' VAL . 32.0 m-85 -96.98 15.05 23.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.213 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.712 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 13.6 t70 -126.09 132.67 51.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.727 ' HG2' ' OE1' ' A' ' 104' ' ' GLU . 9.7 ptmm? -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 -172.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -107.41 13.39 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.713 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 48.15 36.82 16.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.157 0.823 . . . . 0.0 115.157 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -82.41 19.53 1.23 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.335 1.068 . . . . 0.0 113.393 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.23 23.65 62.84 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.903 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.634 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 46.0 m-85 -150.53 162.28 40.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.518 HD11 ' HA ' ' A' ' 89' ' ' PHE . 67.7 mt -122.86 104.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.17 0.509 . . . . 0.0 111.131 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.571 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 22.9 t -101.42 168.2 9.67 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -63.58 -54.78 30.6 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.143 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 1.045 ' HA ' HD23 ' A' ' 48' ' ' LEU . . . -52.79 -36.28 57.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.492 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.727 ' OE1' ' HG2' ' A' ' 94' ' ' LYS . 16.4 mm-40 -60.64 -49.92 75.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.365 174.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 10.4 mt -53.21 -44.57 68.11 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.622 -174.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -78.72 -53.43 7.15 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.165 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 32.6 m80 -66.83 -25.95 66.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 104' ' ' GLU . 8.1 p -85.29 -47.25 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.469 174.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 9.7 tmm? -69.11 -54.03 17.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.492 -172.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -128.11 -41.45 1.6 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.094 -0.379 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.2 m120 -72.89 -173.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.05 121.96 38.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.77 -1.016 . . . . 0.0 112.139 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.901 0.381 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.26 155.82 48.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.236 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.566 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.2 mm? -75.0 -32.4 61.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -164.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.12 -31.8 70.75 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.461 -176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -51.03 71.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.4 tpp -64.09 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.1 mt -60.79 -44.43 97.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' HA ' ' OD1' ' A' ' 56' ' ' ASP . 12.4 m120 -71.79 -23.22 61.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.46 -173.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.26 -15.01 57.94 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.031 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.82 -33.27 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 53' ' ' ASN . 8.4 p-10 -71.87 87.0 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.533 1.158 . . . . 0.0 112.018 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -69.59 -30.47 68.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.47 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' OD2' 'CA ' ' A' ' 200' ' ' ' CA' . 5.6 m-20 -80.01 -17.07 53.77 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 76.15 16.78 80.44 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.846 -170.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -88.18 0.65 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 111.526 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.469 ' H ' ' HB2' ' A' ' 56' ' ' ASP . . . 80.3 13.48 81.78 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.598 173.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 t -158.04 147.56 19.77 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.895 0.379 . . . . 0.0 110.089 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.646 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -77.85 140.84 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 2.0 m-20 -113.33 173.4 6.42 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 71.9 m-85 -52.89 -48.54 91.08 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.278 175.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 50.3 Cg_exo -54.4 -53.85 5.56 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.978 1.786 . . . . 0.0 112.831 174.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.578 ' OE1' ' HA ' ' A' ' 63' ' ' ILE . 56.5 mt-10 -60.04 -52.44 65.34 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HD1' HG21 ' A' ' 63' ' ' ILE . 47.1 t80 -59.31 -47.23 86.16 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.261 0.351 . . . . 0.0 110.482 -172.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 69' ' ' LEU . 11.8 mt -66.48 -45.18 80.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.966 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.5 m -70.42 -46.69 63.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.726 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 mmt -60.95 -28.48 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.89 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' MET . 43.1 ttm -72.97 -69.98 0.38 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.15 -15.68 2.47 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -40.28 -47.72 2.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.707 0.629 . . . . 0.0 110.367 173.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -131.69 -37.32 1.19 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.468 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -110.43 112.7 24.8 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -114.27 117.67 31.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.616 -0.677 . . . . 0.0 109.316 167.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -151.21 -12.16 0.22 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.317 0.58 . . . . 0.0 111.098 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.6 166.57 20.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.036 0.922 . . . . 0.0 113.302 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.19 -152.44 0.09 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.671 169.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.8 p -67.74 161.63 25.61 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -164.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.97 -32.35 67.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.504 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.48 -38.02 89.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.047 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -32.31 73.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.488 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 41.1 mm -66.98 -35.96 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.235 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -63.17 -45.4 92.0 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.411 0.624 . . . . 0.0 110.009 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 91' ' ' VAL . 14.4 mm-40 -69.24 -25.93 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.022 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.51 79.95 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.891 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HA ' HD11 ' A' ' 100' ' ' ILE . 16.9 m-85 -57.7 -35.63 70.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.119 0.485 . . . . 0.0 111.038 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -76.22 -31.66 58.53 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.033 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 87' ' ' GLU . 81.8 t -83.32 -43.5 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.588 0.232 . . . . 0.0 111.219 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.892 ' HA ' HG11 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.69 16.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.0 111.314 -177.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.926 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 53.3 t0 -132.42 142.87 49.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' HD3' ' CG ' ' A' ' 107' ' ' HIS . 15.7 pttp -87.38 -16.08 35.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.311 0.577 . . . . 0.0 110.068 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -118.33 1.83 11.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.659 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.25 41.7 11.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 115.754 1.061 . . . . 0.0 115.754 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.534 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -77.35 18.59 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.772 1.286 . . . . 0.0 112.236 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.92 21.51 78.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.91 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 97' ' ' ASN . 63.5 m-85 -150.45 141.96 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.646 ' HB ' HG22 ' A' ' 63' ' ' ILE . 83.2 mt -110.58 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -173.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.535 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 20.8 t -108.73 171.7 7.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' CG1' ' A' ' 52' ' ' ILE . . . -57.83 -54.29 48.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.45 -46.25 56.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.649 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.926 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.3 mm-40 -61.21 -51.8 67.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.631 0.729 . . . . 0.0 109.113 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.649 ' O ' ' HB2' ' A' ' 109' ' ' MET . 63.6 tp -58.34 -43.23 88.18 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.213 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 84.5 mtt180 -77.7 -45.12 25.77 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.626 -175.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 65.9 t-80 -50.99 -37.28 43.93 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.164 0.507 . . . . 0.0 111.257 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.892 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.2 p -86.96 -40.69 14.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.899 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.649 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.12 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -168.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.88 -16.85 2.86 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.531 ' CB ' ' HB3' ' A' ' 106' ' ' ARG . 7.7 t30 -86.78 -173.55 4.53 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.527 ' H ' ' ND2' ' A' ' 111' ' ' ASN . 25.5 tp -37.84 119.35 0.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.303 0.641 . . . . 0.0 112.138 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 118.342 -1.254 . . . . 0.0 111.67 -179.252 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.611 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.61 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.757 0.313 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -97.85 155.8 16.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.1 mm? -80.67 -28.36 36.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.28 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' HD12 ' A' ' 52' ' ' ILE . 61.7 tt0 -63.59 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 110.098 177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.14 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.048 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 15.2 tpt -58.58 -36.52 74.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.717 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 48' ' ' LEU . 62.1 mt -61.18 -46.29 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.288 0.566 . . . . 0.0 109.627 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.63 -21.71 64.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.57 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.59 -43.92 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.224 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.2 t -97.18 -31.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -167.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 24.3 t0 -67.05 123.39 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.259 0.552 . . . . 0.0 110.291 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.47 -24.91 15.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.575 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -118.63 -3.03 10.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.491 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.79 32.12 73.7 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.102 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -92.31 -0.48 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.331 0.566 . . . . 0.0 111.053 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.73 -0.81 56.64 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.706 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -158.88 175.03 14.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.734 HD11 ' HG3' ' A' ' 71' ' ' MET . 0.1 OUTLIER -94.69 142.88 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 1.1 m-20 -113.0 179.38 3.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 86' ' ' ARG . 70.8 m-85 -55.75 -52.54 71.37 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.854 174.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 10.1 Cg_endo -52.73 -50.58 13.55 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 175.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 42.2 mt-10 -59.95 -52.23 66.31 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' ILE . 73.7 t80 -61.54 -48.84 79.2 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -58.78 -45.46 89.76 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.252 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.648 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 48.3 m -63.79 -35.3 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.353 0.408 . . . . 0.0 111.401 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.734 ' HG3' HD11 ' A' ' 63' ' ' ILE . 97.2 mmm -51.95 -43.03 63.33 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.556 0.217 . . . . 0.0 110.934 173.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 74' ' ' ARG . 53.9 tpp -74.53 -60.81 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.71 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -46.81 -6.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 72' ' ' MET . 32.0 mtm180 -47.57 -40.73 19.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.908 0.322 . . . . 0.0 111.495 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.59 -57.66 2.25 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.629 168.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.71 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 27.2 ptt? -106.41 135.73 47.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.571 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 1.4 tmtp? -101.52 114.94 29.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -172.21 100.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.429 HG21 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -122.13 177.03 5.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.254 -177.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -75.69 -166.25 0.53 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 162.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 85' ' ' ILE . 58.8 p -69.77 157.34 37.52 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.367 0.603 . . . . 0.0 111.662 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 33.6 mt-10 -67.91 -26.26 65.9 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.302 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -69.53 -40.68 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 50.3 mm -60.5 -41.65 88.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.347 175.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 43.3 mtm180 -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.455 0.645 . . . . 0.0 110.096 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.93 -33.01 70.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.558 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.13 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.151 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.656 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.1 m-85 -59.64 -30.82 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 176.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -76.02 -35.91 59.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.732 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.46 -47.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 111.526 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' HG11 ' A' ' 108' ' ' VAL . 13.5 m-85 -60.7 -44.43 96.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.953 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.98 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 12.3 t70 -68.73 148.64 50.07 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.323 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 107' ' ' HIS . 98.4 mttt -70.66 -46.21 63.66 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.663 0.744 . . . . 0.0 110.423 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 7.8 p-10 -106.8 9.6 30.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.101 -172.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.436 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 49.09 38.82 25.67 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 114.754 -1.112 . . . . 0.0 115.069 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 3.5 p-10 -76.51 21.85 0.18 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.849 1.324 . . . . 0.0 113.187 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.03 21.39 78.44 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.423 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.656 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 65.4 m-85 -146.51 148.85 32.62 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 105' ' ' LEU . 38.5 mt -106.93 102.36 13.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.102 0.477 . . . . 0.0 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.702 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 6.6 m -97.81 -179.78 4.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 52' ' ' ILE . . . -67.21 -54.91 16.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -51.99 -32.57 34.28 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.073 0.463 . . . . 0.0 111.246 174.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.98 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 1.1 mm-40 -75.41 -42.93 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.502 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.36 -45.55 65.8 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.498 -179.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HD2' HD13 ' A' ' 48' ' ' LEU . 88.1 mtt180 -76.29 -41.09 49.94 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.691 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CE1' ' HA2' ' A' ' 113' ' ' GLY . 47.9 t60 -49.85 -45.75 50.68 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.235 0.54 . . . . 0.0 111.537 175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.4 p -84.18 -38.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.538 -177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.7 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 16.7 ttp -74.3 -73.0 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.853 -169.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -129.8 -15.08 3.95 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' CG ' ' H ' ' A' ' 112' ' ' LEU . 63.1 t30 -92.98 -173.88 3.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -175.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.447 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 59.3 tp -54.3 125.88 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.592 0.357 . . . . 0.0 110.644 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.502 ' HA2' ' CE1' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.297 -1.279 . . . . 0.0 111.795 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.6 'CA ' ' OD1' ' A' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.624 0.25 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -91.99 145.05 24.85 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.383 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 102' ' ' ALA . 4.5 mm? -77.99 5.83 9.04 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -175.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' HA ' HD12 ' A' ' 52' ' ' ILE . 50.6 tt0 -50.84 -40.46 56.0 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -47.36 85.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.708 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.7 tpt -64.22 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.578 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 49' ' ' GLN . 79.6 mt -62.7 -49.16 84.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.39 -19.63 64.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.023 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.44 -43.26 17.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.209 0.528 . . . . 0.0 110.207 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -32.1 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.614 -173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -65.26 123.99 21.01 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.287 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -97.28 -33.46 11.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.195 -174.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -119.24 5.54 11.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.079 -176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.56 66.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.777 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -87.46 1.63 52.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.8 4.52 67.33 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.392 172.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.0 t -160.59 176.98 10.97 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG21 ' HD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -93.25 141.29 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 168.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.655 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 6.6 t0 -112.87 178.49 4.27 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.507 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 68.8 m-85 -57.5 -50.61 87.15 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 118.85 0.75 . . . . 0.0 111.451 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 53.1 Cg_exo -54.08 -50.3 14.08 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.241 1.961 . . . . 0.0 112.607 174.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 2.4 mp0 -58.18 -52.03 67.27 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.429 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.571 ' HD1' HG21 ' A' ' 63' ' ' ILE . 34.4 t80 -57.94 -51.71 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.458 0.17 . . . . 0.0 110.787 -174.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 85' ' ' ILE . 3.5 mm? -68.67 -53.98 19.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.03 -46.32 68.24 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.777 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 51.0 tpp -61.83 -35.67 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.364 0.126 . . . . 0.0 111.048 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.4 ttp -63.44 -66.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.573 174.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -55.97 -19.16 11.31 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.5 tpm_? -45.77 -43.93 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.763 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 23.5 mtpp -129.93 -35.14 1.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.594 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 24.5 mmt -91.92 -173.98 3.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.766 -176.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' HE2' ' OG1' ' A' ' 79' ' ' THR . 22.8 pttm -57.74 146.75 30.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 112.412 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -95.54 133.72 39.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 165.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.503 ' OG1' ' HE2' ' A' ' 77' ' ' LYS . 3.6 m -120.35 107.96 13.57 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.941 -173.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -87.55 98.02 11.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.993 0.901 . . . . 0.0 109.159 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.57 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 32.8 m -160.69 62.09 0.31 Allowed 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -52.25 -47.27 65.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.558 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.99 -46.24 82.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.357 0.598 . . . . 0.0 110.52 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 81' ' ' SER . 38.2 mt-10 -70.06 -40.76 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.264 -174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 HD21 ' A' ' 69' ' ' LEU . 30.3 mm -70.21 -37.55 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.445 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -63.85 -40.94 97.78 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.492 0.663 . . . . 0.0 109.801 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.1 -32.23 73.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.212 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.68 84.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.6 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 85' ' ' ILE . 20.1 m-85 -58.16 -30.92 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.917 175.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -77.9 -40.55 39.49 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 93' ' ' ASP . 77.5 t -82.39 -39.38 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.082 0.468 . . . . 0.0 111.48 -173.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.753 ' HA ' HG11 ' A' ' 108' ' ' VAL . 44.2 m-85 -74.43 17.24 0.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.73 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.953 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 32.9 t0 -131.12 149.69 52.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -80.64 -32.66 36.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 109.517 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -112.16 -1.24 15.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.071 -175.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.567 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.87 42.79 29.95 Favored Glycine 0 C--O 1.228 -0.244 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.945 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.588 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.4 p-10 -75.8 20.86 0.17 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.79 1.295 . . . . 0.0 112.998 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.6 21.88 79.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.92 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 97' ' ' ASN . 56.2 m-85 -148.27 141.06 24.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 89' ' ' PHE . 76.6 mt -104.58 103.52 15.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.281 0.562 . . . . 0.0 110.305 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.674 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 7.1 m -100.63 166.81 10.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.971 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 48' ' ' LEU . . . -55.13 -54.79 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -53.0 -40.76 64.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.16 0.505 . . . . 0.0 111.853 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.953 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.3 mm-40 -63.04 -43.79 97.71 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 21.1 mt -57.75 -40.16 79.05 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.222 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 10.7 ptt180 -65.82 -47.6 74.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.965 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -54.75 -42.38 71.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.757 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.753 HG11 ' HA ' ' A' ' 92' ' ' PHE . 7.4 p -84.51 -48.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.088 0.47 . . . . 0.0 111.326 -176.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.451 ' N ' HG13 ' A' ' 108' ' ' VAL . 10.6 tpt -74.57 -72.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.625 -166.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -122.01 -36.13 3.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 111' ' ' ASN . 3.4 m120 -83.38 -173.12 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 114.49 1.0 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.072 -173.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 175.31 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.779 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 8.5 tp10 -88.23 108.29 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.64 0.733 . . . . 0.0 111.415 -175.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' ' 103' ' ' ALA . 9.9 mt -79.09 -25.48 43.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.848 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.09 -34.06 77.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.371 0.605 . . . . 0.0 110.029 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.779 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 16.9 t70 -64.04 -47.73 79.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.469 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 tpp -63.98 -31.47 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.821 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 48' ' ' LEU . 75.7 mt -65.63 -38.65 82.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -32.58 73.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.136 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -71.09 -37.02 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 t -85.36 -26.98 6.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.753 0.311 . . . . 0.0 111.284 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.87 74.8 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.662 0.744 . . . . 0.0 111.209 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -42.26 62.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.835 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.62 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 5.7 p-10 -116.56 6.06 13.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -169.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.36 70.04 1.36 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 119.967 -1.111 . . . . 0.0 112.548 -176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -140.06 -20.08 0.89 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.489 . . . . 0.0 111.859 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.44 6.6 80.62 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -158.63 -178.42 7.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB ' ' A' ' 100' ' ' ILE . 1.6 tt -93.41 147.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.642 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 8.2 m-20 -102.65 167.58 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -178.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 39.3 m-85 -54.54 -55.71 34.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 118.654 0.661 . . . . 0.0 111.788 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 23.2 Cg_endo -61.77 -36.48 73.67 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.778 1.652 . . . . 0.0 111.678 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.584 ' HB3' ' H ' ' A' ' 64' ' ' ASP . 6.8 tt0 -62.53 -54.91 32.85 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.997 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.409 ' HD1' HD13 ' A' ' 63' ' ' ILE . 86.0 t80 -56.17 -45.61 79.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 85' ' ' ILE . 3.7 mm? -63.94 -40.41 96.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -76.38 -43.46 40.58 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.86 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -36.53 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.751 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 43.7 ttp -62.41 -63.75 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 78' ' ' ASP . . . -56.14 -15.99 4.52 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -52.29 -51.24 59.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.278 0.561 . . . . 0.0 110.476 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -126.68 -44.87 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 77' ' ' LYS . 13.2 tpt -78.29 175.32 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.439 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.65 149.34 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.965 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 73' ' ' ALA . 4.2 p-10 -104.33 137.29 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 173.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.5 m -123.01 118.49 27.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.94 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -94.52 104.0 15.95 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.6 m -167.22 66.67 0.09 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.65 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 20.4 tt0 -48.33 -52.62 20.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.555 -165.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 -36.13 72.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.712 -178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.8 -45.62 60.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 69' ' ' LEU . 35.3 mm -67.78 -37.19 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.225 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 16.5 mtp180 -61.72 -42.72 99.32 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.141 0.496 . . . . 0.0 109.978 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 91' ' ' VAL . 6.0 tt0 -73.44 -26.61 61.02 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.67 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 92' ' ' PHE . . . -66.8 -44.14 82.03 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 10.7 m-85 -52.83 -41.09 63.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -74.91 -25.62 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.611 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' GLU . 41.2 t -79.86 -44.0 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.77 ' HA ' ' HB ' ' A' ' 108' ' ' VAL . 5.3 m-85 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.424 0.63 . . . . 0.0 109.398 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.673 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 9.8 t0 -57.97 141.7 48.8 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.649 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 107' ' ' HIS . 97.0 mttt -76.26 -41.18 49.81 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 109.672 173.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -105.07 2.59 29.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.724 -170.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 53.28 35.88 51.35 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.573 -0.739 . . . . 0.0 114.848 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.495 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.5 p-10 -75.01 -0.59 19.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.785 1.293 . . . . 0.0 111.657 178.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.5 22.84 27.96 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.368 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 50.4 m-85 -152.55 146.73 25.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.93 -175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.519 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 65.7 mt -108.99 101.84 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.595 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.691 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 23.2 t -101.71 -179.36 3.99 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.499 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -62.44 -54.59 37.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.803 0.274 . . . . 0.0 111.337 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -48.35 -44.91 34.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.099 0.476 . . . . 0.0 111.27 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.691 ' HG3' ' H ' ' A' ' 101' ' ' SER . 4.3 mm-40 -63.94 -47.65 79.62 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.577 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.586 ' O ' ' HB2' ' A' ' 109' ' ' MET . 42.5 tp -57.21 -45.48 83.76 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.782 -174.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 111' ' ' ASN . 6.8 mtp180 -63.61 -44.37 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.226 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' CD2' ' HA2' ' A' ' 113' ' ' GLY . 6.6 t-80 -48.26 -45.63 34.75 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.735 0.647 . . . . 0.0 112.02 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.77 ' HB ' ' HA ' ' A' ' 92' ' ' PHE . 12.1 p -85.61 -30.31 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 19.7 ttt -81.02 -73.54 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.228 -166.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.4 m -129.45 -20.07 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.618 -0.676 . . . . 0.0 112.043 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 106' ' ' ARG . 55.5 t30 -79.62 -174.9 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -70.22 132.74 46.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.085 0.469 . . . . 0.0 111.035 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.36 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.642 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -125.89 148.84 49.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.022 HD11 ' HD2' ' A' ' 106' ' ' ARG . 2.7 mm? -81.51 3.39 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -171.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' HB ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -57.3 -31.3 65.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -58.01 -57.62 12.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.23 0.538 . . . . 0.0 109.776 174.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 55' ' ' VAL . 16.2 tpt -59.58 -32.74 70.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.968 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.4 mt -64.49 -39.78 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.482 ' HA ' ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -74.42 -19.59 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.659 -178.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -82.57 -32.09 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 51' ' ' MET . 79.8 t -84.93 -33.11 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 53' ' ' ASN . 2.7 p30 -61.65 131.88 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 110.978 177.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.1 -29.08 14.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.735 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.598 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 6.9 p-10 -122.05 -0.73 9.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.489 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.72 25.78 48.65 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.669 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -76.99 -6.75 53.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.657 1.229 . . . . 0.0 111.809 171.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.28 -1.21 86.04 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.918 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -144.56 159.57 42.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -88.03 142.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 171.149 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.578 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.9 t70 -110.07 173.13 6.47 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 97.4 m-85 -50.61 -55.45 26.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.483 0.583 . . . . 0.0 112.336 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 34.8 Cg_exo -60.06 -38.64 76.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.919 1.746 . . . . 0.0 112.749 177.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.578 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 46.8 mt-10 -68.33 -42.88 78.66 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.837 -175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.673 ' HA ' HD13 ' A' ' 63' ' ' ILE . 77.6 t80 -56.36 -49.01 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.743 177.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD12 ' HE2' ' A' ' 77' ' ' LYS . 4.1 mm? -64.06 -34.66 78.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.014 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -76.97 -45.08 28.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.417 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.725 ' HA ' ' HG2' ' A' ' 74' ' ' ARG . 21.3 mmt -63.17 -37.49 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.322 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.0 tpt -64.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.665 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -51.18 -14.62 0.26 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 175.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' A' ' 71' ' ' MET . 12.5 mmm180 -47.0 -43.6 19.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.177 0.513 . . . . 0.0 110.408 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -118.15 -54.28 2.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.886 174.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -115.72 126.55 54.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.399 . . . . 0.0 109.945 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.665 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 20.8 tptp -95.74 122.17 38.23 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.365 173.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -98.13 -156.61 0.55 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.867 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.2 m -65.08 133.3 51.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.03 79.25 1.89 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.533 0.682 . . . . 0.0 112.017 174.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 85' ' ' ILE . 11.4 m -114.51 117.74 31.79 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 164.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 43.8 tt0 -50.07 -43.29 51.2 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.359 0.412 . . . . 0.0 111.791 -167.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.43 -38.89 88.41 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.55 -38.69 91.88 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 81' ' ' SER . 51.0 mm -60.61 -40.37 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.095 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.643 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 47.4 mtt180 -61.85 -42.63 99.27 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.284 0.564 . . . . 0.0 110.495 178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.3 tt0 -73.1 -27.93 61.99 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.484 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.945 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.728 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 7.9 m-85 -59.81 -29.68 68.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.775 174.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 90' ' ' ARG . 39.2 ttt180 -75.55 -34.38 60.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.068 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.8 t -82.1 -40.86 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.53 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.737 ' HA ' HG21 ' A' ' 108' ' ' VAL . 56.8 m-85 -77.9 17.08 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.496 . . . . 0.0 111.597 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 47.6 t0 -129.98 144.32 51.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -77.66 -26.7 50.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.414 0.626 . . . . 0.0 109.88 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -116.14 0.65 13.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.827 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 46.4 45.81 16.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -176.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.549 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -77.03 16.59 0.53 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.834 1.317 . . . . 0.0 112.175 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.1 66.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.885 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.728 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 63.4 m-85 -148.75 145.09 27.46 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 86.5 mt -110.08 100.7 11.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.598 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 23.1 t -99.51 163.21 12.6 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -53.63 -53.96 44.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.725 0.297 . . . . 0.0 111.029 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.603 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . . . -50.34 -49.12 54.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.111 175.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.884 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.3 mm-40 -58.65 -50.33 74.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.3 0.571 . . . . 0.0 109.683 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.766 ' O ' ' HB2' ' A' ' 109' ' ' MET . 1.5 tt -58.57 -48.09 82.06 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.914 -172.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 1.022 ' HD2' HD11 ' A' ' 48' ' ' LEU . 50.8 mtt180 -74.22 -29.82 61.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.665 -174.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.729 ' HA ' ' HB2' ' A' ' 111' ' ' ASN . 41.8 m80 -80.24 -24.39 40.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.604 -174.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.737 HG21 ' HA ' ' A' ' 92' ' ' PHE . 33.8 m -88.02 -25.58 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.833 0.825 . . . . 0.0 108.943 171.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.766 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 18.1 ttt -77.02 -73.31 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.748 -175.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.7 p -129.9 -26.68 2.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.077 0.465 . . . . 0.0 111.637 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.729 ' HB2' ' HA ' ' A' ' 107' ' ' HIS . 11.3 m120 -71.27 -172.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.72 120.69 21.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -173.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.878 0 CA-C-O 118.482 -1.176 . . . . 0.0 111.567 178.792 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.598 'CA ' ' OD1' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.611 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.882 0.372 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.99 134.25 33.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.198 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.4 mm? -71.97 0.57 9.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.8 mt-30 -61.08 -33.93 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.348 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.81 -48.9 79.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.218 0.532 . . . . 0.0 109.909 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.4 tpt -61.1 -32.42 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.421 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 102' ' ' ALA . 79.3 mt -65.25 -45.92 92.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.968 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.88 -33.19 75.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.124 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.15 -42.86 18.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.89 0.376 . . . . 0.0 111.351 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -78.0 -32.92 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.701 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 24.8 t0 -59.22 128.94 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.701 0.763 . . . . 0.0 111.423 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.92 -38.84 8.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.388 -174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -96.57 -17.04 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.614 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.6 20.37 64.07 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.996 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -81.26 -6.1 58.5 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 117.527 0.664 . . . . 0.0 111.632 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 7.26 55.86 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.526 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -159.64 170.07 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.515 . . . . 0.0 110.645 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -87.48 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 5.9 t70 -112.84 178.66 4.21 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 73.5 m-85 -55.75 -52.43 72.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 118.48 0.582 . . . . 0.0 111.448 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 11.7 Cg_endo -55.9 -44.4 47.76 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.056 1.837 . . . . 0.0 112.581 176.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.7 mt-10 -64.38 -53.17 52.79 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.336 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.477 ' HD1' HG21 ' A' ' 63' ' ' ILE . 44.0 t80 -58.17 -47.38 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.96 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -64.69 -45.03 88.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 88.1 m -65.82 -48.02 73.09 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.036 -175.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -32.86 74.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.007 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.2 tpp -74.23 -69.31 0.46 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.387 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 77' ' ' LYS . . . -55.62 -15.36 2.86 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 70' ' ' THR . 33.8 ttt180 -41.3 -39.95 1.53 Allowed 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.57 0.544 . . . . 0.0 110.586 175.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 75' ' ' LYS . 19.0 ptmt -129.62 -43.44 1.26 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.389 173.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 tpt -112.23 116.45 30.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.087 -171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.517 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 19.5 tptm -110.54 115.98 30.58 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.608 170.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -134.76 0.55 2.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.766 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.82 150.02 23.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.243 1.021 . . . . 0.0 113.262 -171.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.55 -148.64 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.146 -1.843 . . . . 0.0 109.209 165.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -78.84 176.6 9.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.49 -164.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 29.4 tt0 -58.64 -25.88 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 16.7 mm-40 -52.61 -46.21 66.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 111.029 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -39.76 93.8 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.919 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.607 HG21 HD21 ' A' ' 69' ' ' LEU . 47.9 mm -62.0 -39.61 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.921 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 80.2 mtp180 -62.04 -45.23 94.48 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.466 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.95 -27.5 67.51 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.58 -47.56 69.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 20.6 m-85 -55.79 -35.89 66.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.591 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -64.61 -48.89 73.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.401 HG12 HG21 ' A' ' 108' ' ' VAL . 99.5 t -86.35 -33.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.871 -168.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.837 ' HA ' HG11 ' A' ' 108' ' ' VAL . 45.2 m-85 -83.3 14.8 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.077 0.465 . . . . 0.0 111.193 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 1.044 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 14.9 t70 -127.06 148.4 50.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 99.5 mttt -63.2 -46.49 86.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.469 0.652 . . . . 0.0 110.512 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 97' ' ' ASN . 13.1 p-10 -111.93 16.91 20.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.093 -172.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.51 37.42 3.63 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 95' ' ' ASP . 4.1 p-10 -76.57 22.4 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.0 21.94 75.15 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.149 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -149.82 152.06 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 73.9 mt -115.51 112.69 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.052 0.454 . . . . 0.0 110.666 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.775 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 22.6 t -110.99 174.74 5.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -68.85 -54.19 17.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.587 0.232 . . . . 0.0 111.609 -175.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.41 30.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.263 0.554 . . . . 0.0 111.432 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 1.044 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 3.7 mm-40 -69.56 -39.27 77.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.007 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' MET . 47.1 mt -59.07 -46.63 87.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.898 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -66.61 -39.91 88.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.944 -177.307 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.972 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 7.5 t-80 -48.82 -51.91 26.96 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.823 0.702 . . . . 0.0 111.992 173.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.837 HG11 ' HA ' ' A' ' 92' ' ' PHE . 11.6 p -86.95 -40.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.526 -172.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -71.15 -69.57 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.768 -168.402 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -131.0 -40.14 1.18 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.816 ' HB2' ' HG3' ' A' ' 106' ' ' ARG . 16.2 m120 -93.47 -172.47 2.93 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.385 0.612 . . . . 0.0 111.708 -175.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.68 136.95 36.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.956 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.972 ' HA3' ' HB2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.222 -1.321 . . . . 0.0 112.156 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.869 0.366 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.49 93.05 7.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.583 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD12 ' HB1' ' A' ' 102' ' ' ALA . 3.5 mm? -70.28 0.27 6.71 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -173.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 52' ' ' ILE . 8.7 tt0 -58.2 -35.24 71.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.155 0.502 . . . . 0.0 109.713 174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.11 -50.96 69.6 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.745 0.784 . . . . 0.0 109.67 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 tpp -63.73 -30.71 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.724 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 49' ' ' GLN . 75.7 mt -63.71 -43.55 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -69.15 -22.42 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.488 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -89.92 -27.76 19.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.2 -32.81 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -56.63 115.57 2.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 122.035 0.921 . . . . 0.0 111.593 179.093 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.649 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -99.33 -44.21 6.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.253 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.99 -17.07 28.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.543 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 87.04 17.6 59.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.728 -0.669 . . . . 0.0 113.63 175.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -89.17 4.58 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.346 0.573 . . . . 0.0 111.125 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.67 1.11 89.21 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.63 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' TYR . 12.7 t -142.6 156.62 45.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.946 0.403 . . . . 0.0 110.432 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.617 HG22 ' HB ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -80.04 141.31 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 172.302 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.607 ' OD1' 'CA ' ' A' ' 200' ' ' ' CA' . 1.7 m-20 -112.52 172.2 7.06 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -176.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 95.8 m-85 -52.47 -51.26 74.58 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 118.322 0.51 . . . . 0.0 110.906 175.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 65' ' ' PHE . 77.5 Cg_exo -52.98 -48.73 20.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.362 2.042 . . . . 0.0 112.897 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 49.8 mt-10 -65.92 -53.14 43.18 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' HD1' HG21 ' A' ' 63' ' ' ILE . 39.9 t80 -60.07 -44.99 94.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.396 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.2 mt -61.64 -41.26 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.691 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.4 m -74.51 -38.88 62.71 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.608 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.9 mmt -60.31 -37.68 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.406 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 53.0 ttm -71.48 -68.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.107 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 76' ' ' MET . . . -52.28 -15.73 0.68 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -44.11 -51.66 7.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.018 0.437 . . . . 0.0 110.711 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -131.06 -20.01 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.223 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.542 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 4.4 mpp? -95.21 -177.28 4.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.204 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -66.04 149.15 50.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.113 0.482 . . . . 0.0 111.576 -176.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.76 136.77 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.769 ' HB ' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -95.65 171.99 8.33 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 122.034 0.921 . . . . 0.0 113.275 -171.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.4 -143.32 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.03 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -46.59 138.56 5.82 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.617 1.167 . . . . 0.0 112.502 -160.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.57 -26.1 68.41 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.038 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.8 -35.31 76.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.169 0.509 . . . . 0.0 110.717 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.01 -50.44 55.49 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.403 0.62 . . . . 0.0 109.483 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 79' ' ' THR . 30.8 mm -61.31 -34.91 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.08 176.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 71.2 ttt180 -60.75 -42.4 97.34 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.575 176.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.3 tt0 -69.3 -32.73 72.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.561 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.74 90.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.906 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.604 ' HA ' HD11 ' A' ' 100' ' ' ILE . 14.8 m-85 -56.75 -36.75 70.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -78.08 -25.74 47.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.959 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 87' ' ' GLU . 89.6 t -83.24 -38.95 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.914 0.388 . . . . 0.0 111.429 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.75 ' HA ' HG21 ' A' ' 108' ' ' VAL . 57.5 m-85 -79.16 15.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.497 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 37.3 t0 -125.46 144.83 50.35 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.855 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -73.41 -41.48 63.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.527 0.679 . . . . 0.0 110.599 175.234 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.68 0.6 24.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.676 -171.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.98 36.92 35.2 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.669 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.2 p-10 -75.24 1.62 13.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 118.251 1.025 . . . . 0.0 112.218 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.09 22.96 42.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.911 -1.138 . . . . 0.0 112.486 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.669 ' HB2' HD21 ' A' ' 97' ' ' ASN . 62.6 m-85 -149.49 142.71 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.617 ' HB ' HG22 ' A' ' 63' ' ' ILE . 82.8 mt -110.26 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.367 0.603 . . . . 0.0 110.302 -173.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.773 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 12.7 m -101.64 176.5 5.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.863 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 48' ' ' LEU . . . -64.42 -54.2 36.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -51.8 -41.51 61.77 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.855 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 4.4 mm-40 -57.07 -46.56 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.341 0.591 . . . . 0.0 109.419 175.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.13 -51.37 68.15 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.034 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 103' ' ' ALA . 26.6 ptt180 -58.58 -34.58 71.25 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -175.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 12.1 t60 -74.47 -41.56 60.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.339 0.59 . . . . 0.0 110.178 -174.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 92' ' ' PHE . 17.5 m -86.52 -30.83 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.993 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.32 -74.71 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.73 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -132.33 -39.59 1.03 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.733 0.697 . . . . 0.0 112.549 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 16.7 m120 -72.27 -168.23 0.39 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 57.6 mt -38.68 109.78 0.11 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.974 0.909 . . . . 0.0 112.596 -173.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.235 -1.314 . . . . 0.0 111.09 179.808 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . 0.607 'CA ' ' OD1' ' A' ' 64' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . 0.596 'CA ' ' OE2' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' HG2' ' H ' ' A' ' 49' ' ' GLN . 39.3 tt0 -115.08 150.06 36.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.282 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 52' ' ' ILE . 8.1 mp -74.01 4.97 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 52' ' ' ILE . 34.7 tt0 -51.82 -36.83 49.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.515 0.198 . . . . 0.0 111.358 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.63 -48.18 82.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.185 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.5 tpp -58.31 -36.55 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.444 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.717 HG12 ' HB3' ' A' ' 102' ' ' ALA . 55.8 mt -60.71 -40.16 83.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.006 0.432 . . . . 0.0 109.838 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.17 -24.77 54.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.154 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -46.43 12.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 -177.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.14 -31.36 14.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.036 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' A' ' 52' ' ' ILE . 16.1 t0 -61.96 127.28 30.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.68 -30.37 12.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.445 -174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -106.95 -15.83 14.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.022 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.31 71.46 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.63 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -79.63 -3.04 45.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.358 0.579 . . . . 0.0 111.247 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.51 3.22 58.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.638 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.6 t -160.8 177.44 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.975 0.417 . . . . 0.0 110.312 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.37 138.85 19.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 167.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 8.0 t0 -110.89 176.04 5.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 76.8 m-85 -53.24 -51.8 71.98 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 118.602 0.637 . . . . 0.0 111.512 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.0 Cg_endo -56.72 -47.85 21.52 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.139 1.893 . . . . 0.0 112.38 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' H ' ' A' ' 64' ' ' ASP . 43.2 mt-10 -61.5 -49.3 77.29 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.337 -178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . 57.0 t80 -59.03 -51.13 71.4 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.921 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 85' ' ' ILE . 4.1 mm? -62.78 -43.63 98.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -68.76 -43.24 76.21 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.679 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -70.33 -28.86 65.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.968 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.5 tpt -74.47 -68.92 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 78' ' ' ASP . . . -52.89 -14.54 0.58 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -44.15 -51.35 8.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.562 0.539 . . . . 0.0 110.317 175.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -129.93 -25.25 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.246 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.506 ' O ' ' HA ' ' A' ' 73' ' ' ALA . 1.9 mpt? -96.13 -174.03 2.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.563 -175.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.496 ' CE ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -43.29 137.02 2.81 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.254 -0.884 . . . . 0.0 113.3 178.135 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 26.1 t70 -93.64 11.37 29.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.446 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.496 ' HB ' ' CE ' ' A' ' 77' ' ' LYS . 60.8 m -58.22 110.82 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.406 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' OD1' ' HG ' ' A' ' 69' ' ' LEU . 34.7 t70 -119.3 80.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 109.958 172.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 85' ' ' ILE . 4.4 p -112.02 108.79 18.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 167.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 32.1 tt0 -57.83 -36.9 72.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.503 -164.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.72 93.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.109 0.413 . . . . 0.0 111.13 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -69.45 -38.78 77.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.626 0.727 . . . . 0.0 109.308 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 69' ' ' LEU . 47.3 mm -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.25 176.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.2 mtp180 -63.9 -36.17 83.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.75 -41.82 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.232 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -68.91 -42.62 76.6 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.176 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' HA ' HD11 ' A' ' 100' ' ' ILE . 7.1 m-85 -54.08 -32.99 56.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.724 0.297 . . . . 0.0 111.607 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.53 -36.67 52.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.439 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 88' ' ' ALA . 1.1 p -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' HA ' HG11 ' A' ' 108' ' ' VAL . 27.0 m-85 -85.35 13.25 6.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.244 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 1.017 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 16.8 t70 -134.11 151.08 51.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -73.13 -41.94 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.54 0.685 . . . . 0.0 110.242 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -3.25 44.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.94 -173.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.96 7.48 Favored Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.184 -0.462 . . . . 0.0 113.547 -171.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.472 HD21 ' HB2' ' A' ' 99' ' ' TYR . 4.1 p-10 -76.76 23.01 0.17 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -171.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.23 21.29 79.84 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.02 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 97' ' ' ASN . 68.8 m-85 -147.92 147.78 30.09 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 70.7 mt -111.96 103.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.212 0.529 . . . . 0.0 110.375 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.663 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 3.7 m -95.18 164.17 12.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.17 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.717 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -58.32 -54.42 47.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HA ' HD22 ' A' ' 48' ' ' LEU . . . -53.46 -25.86 17.98 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 1.017 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.4 mm-40 -74.24 -35.34 63.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.819 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 102' ' ' ALA . 2.0 mm? -55.84 -42.61 76.01 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 5.8 ptt180 -72.73 -36.82 67.84 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.856 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.664 ' HA ' ' O ' ' A' ' 112' ' ' LEU . 24.3 t-80 -53.91 -49.71 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.618 173.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 92' ' ' PHE . 6.0 p -85.71 -50.56 14.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.432 ' N ' HG13 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -68.01 -72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.828 -163.162 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -40.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -177.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.535 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -75.06 -168.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -173.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 107' ' ' HIS . 92.6 mt -48.28 123.56 6.63 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.914 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.964 -178.717 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 120.853 0.359 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 50' ' ' ASP . 9.6 tp10 -86.77 114.14 23.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD21 ' HD3' ' A' ' 106' ' ' ARG . 42.1 mt -67.52 -31.57 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.657 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.81 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.599 ' H ' ' HG3' ' A' ' 47' ' ' GLU . 12.2 t70 -60.32 -53.39 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.589 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.33 -39.83 89.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.251 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.75 HG13 ' HB3' ' A' ' 102' ' ' ALA . 54.7 mt -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.1 0.476 . . . . 0.0 110.125 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.09 -24.65 59.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.438 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -81.5 -38.77 25.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.2 t -77.14 -30.3 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -55.69 107.39 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . . . -97.66 -46.45 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.949 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -120.38 -3.18 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.295 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.95 78.88 1.21 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.206 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' THR . 7.0 m120 -127.93 -24.68 3.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.317 -0.942 . . . . 0.0 110.552 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.49 4.77 58.24 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -169.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 99' ' ' TYR . 94.7 m -158.08 169.58 24.21 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.034 -1.583 . . . . 0.0 107.814 -169.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.637 HG22 ' HB ' ' A' ' 100' ' ' ILE . 1.8 tt -90.5 144.69 8.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 171.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 7.6 t0 -111.41 171.05 7.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.823 ' HE1' ' HA ' ' A' ' 86' ' ' ARG . 86.0 m-85 -54.01 -53.06 62.49 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 118.642 0.655 . . . . 0.0 112.04 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 14.7 Cg_endo -57.97 -42.82 54.34 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.047 1.832 . . . . 0.0 112.228 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.874 ' HG2' ' HB3' ' A' ' 57' ' ' ALA . 6.1 mt-10 -70.89 -41.3 71.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.583 ' HD1' HG21 ' A' ' 63' ' ' ILE . 60.4 t80 -58.91 -47.51 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.207 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.5 mt -68.37 -37.1 80.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.878 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -74.51 -43.35 56.31 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.35 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.8 mmt -59.19 -34.66 72.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 175.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 76' ' ' MET . 55.0 ttm -69.67 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.927 174.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.656 ' HB2' ' HE3' ' A' ' 77' ' ' LYS . . . -54.56 -15.42 1.75 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -40.4 -48.22 2.69 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.844 0.715 . . . . 0.0 110.501 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -129.53 -41.37 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.113 170.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.465 ' O ' ' HG2' ' A' ' 72' ' ' MET . 17.7 mmt -107.14 117.43 34.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -167.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.656 ' HE3' ' HB2' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -109.3 115.66 30.4 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.294 170.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -165.18 81.11 0.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.652 HG22 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -119.12 170.47 9.04 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.969 0.89 . . . . 0.0 112.562 -169.046 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -101.13 -168.93 1.63 Allowed 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 113.885 -1.507 . . . . 0.0 107.738 161.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.773 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 33.7 t -59.62 146.9 39.28 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 30.9 tt0 -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.638 0.256 . . . . 0.0 110.757 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.38 -38.0 89.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.773 ' HG2' ' HB3' ' A' ' 81' ' ' SER . 21.0 mm-40 -65.05 -34.71 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.641 175.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.652 HD11 HG22 ' A' ' 79' ' ' THR . 43.6 mm -63.22 -38.31 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.614 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.823 ' HA ' ' HE1' ' A' ' 65' ' ' PHE . 80.9 mtt180 -65.31 -40.65 94.05 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.8 0.81 . . . . 0.0 110.027 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 91' ' ' VAL . 39.1 tt0 -68.21 -31.59 71.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.584 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.58 82.76 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.108 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.612 ' HD2' ' HA ' ' A' ' 99' ' ' TYR . 8.1 m-85 -56.97 -35.01 68.65 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 172.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -74.6 -30.84 61.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' GLU . 68.8 t -82.67 -44.69 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.539 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' C ' HG21 ' A' ' 108' ' ' VAL . 50.2 m-85 -75.3 18.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.9 0.48 . . . . 0.0 112.175 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.979 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 38.4 t0 -123.65 142.49 51.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.797 ' HG3' ' HA ' ' A' ' 104' ' ' GLU . 96.1 mttt -65.32 -44.3 88.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.865 0.841 . . . . 0.0 109.83 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -105.74 -0.1 25.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.585 -173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 93' ' ' ASP . . . 48.91 44.61 31.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 115.209 0.844 . . . . 0.0 115.209 -175.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.425 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.3 p-10 -76.41 15.48 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.714 1.257 . . . . 0.0 112.397 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 22.81 57.27 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.04 174.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.612 ' HA ' ' HD2' ' A' ' 89' ' ' PHE . 61.5 m-85 -154.24 154.32 33.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -176.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.637 ' HB ' HG22 ' A' ' 63' ' ' ILE . 65.1 mt -116.78 102.1 13.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.203 0.525 . . . . 0.0 111.2 -176.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.731 ' HB2' ' HG2' ' A' ' 104' ' ' GLU . 2.0 m -92.46 159.38 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 175.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.75 ' HB3' HG13 ' A' ' 52' ' ' ILE . . . -53.03 -50.93 63.27 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.106 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 48' ' ' LEU . . . -50.85 -50.45 56.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.854 175.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.979 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . 2.0 mm-40 -58.85 -47.94 83.11 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.917 0.865 . . . . 0.0 109.372 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.22 -42.9 92.11 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.054 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.866 ' HG3' ' HB3' ' A' ' 111' ' ' ASN . 2.9 ptt180 -67.51 -41.87 83.73 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.21 -175.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.564 ' HB2' ' HE2' ' A' ' 94' ' ' LYS . 33.5 t-80 -50.66 -46.12 58.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.337 0.589 . . . . 0.0 111.6 173.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 2.4 t -88.11 -43.52 15.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.473 0.654 . . . . 0.0 111.869 -174.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -71.3 0.25 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.201 -170.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 t -124.35 -40.14 2.27 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.866 ' HB3' ' HG3' ' A' ' 106' ' ' ARG . 9.4 t-20 -80.22 -172.35 3.44 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.538 -0.101 . . . . 0.0 110.864 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' A' ' 111' ' ' ASN . 89.5 mt -59.87 125.94 25.61 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.008 0.433 . . . . 0.0 111.768 -172.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 107' ' ' HIS . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.915 -0.936 . . . . 0.0 111.457 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_