data_1wn4_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 1wn4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.769 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 8.7 p-80 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.815 0.34 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.6 pt? -63.43 -40.95 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 0.0 110.473 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -80.44 -39.71 27.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.769 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.959 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.13 -41.36 92.5 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.58 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.29 -47.31 77.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.804 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 60.8 t -64.5 -36.63 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.323 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -55.16 -35.55 64.88 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.61 -40.03 43.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.482 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.22 24.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.471 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 40.1 pttt . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 109.597 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.774 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 27.8 p80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 120.434 0.159 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -57.25 -34.35 68.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.936 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.05 -46.41 29.37 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.299 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.774 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 9.4 pt-20 -70.35 -41.92 72.52 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 61.3 mt-10 -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.21 0.529 . . . . 0.0 109.62 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.25 82.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.715 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.004 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.45 -39.84 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.433 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.36 83.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.14 0.495 . . . . 0.0 110.322 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.85 -44.74 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.133 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.23 82.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.51 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 tptm . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.308 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 11.2 t-80 . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.17 -38.58 91.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.7 mm? -71.82 -40.61 69.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.619 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 7.5 pt-20 -65.59 -34.0 77.21 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.637 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -43.38 98.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.91 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.778 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.09 -48.15 81.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.629 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 53.2 t -68.84 -35.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.146 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.868 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . . . -56.37 -36.95 69.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.056 0.455 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -68.3 -44.28 75.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.99 85.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.537 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.868 ' HD2' ' HA ' ' A' ' 17' ' ' ALA . 86.8 mttt . . . . . 0 N--CA 1.466 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.673 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.5 t60 . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.2 pt? -53.67 -39.37 65.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.102 0.477 . . . . 0.0 111.22 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 11' ' ' LEU . 2.5 tm? -80.61 -42.49 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.673 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 18.8 pt-20 -63.1 -34.34 77.39 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.434 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -60.1 -46.23 90.3 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.45 81.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.917 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.16 -48.27 82.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.026 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 12' ' ' GLU . 86.8 t -63.91 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.112 0.482 . . . . 0.0 110.354 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -70.22 -42.27 72.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.4 79.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.215 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.847 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.34 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.731 ' HA ' ' CG ' ' A' ' 12' ' ' GLU . 1.7 p80 . . . . . 0 C--O 1.223 -0.332 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.85 -35.93 79.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.86 -48.48 37.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.112 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.731 ' CG ' ' HA ' ' A' ' 9' ' ' HIS . 10.7 pt-20 -66.73 -37.32 84.42 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.63 -47.04 85.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.33 85.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.069 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 19' ' ' ALA . 60.1 tp -56.43 -52.34 65.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.709 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.64 -40.5 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.828 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.57 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -79.57 -41.25 27.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.983 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 15' ' ' LEU . . . -58.04 -40.73 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.915 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HZ2' ' HG2' ' A' ' 20' ' ' LYS . 36.6 tttm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.892 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 32.9 t-80 . . . . . 0 C--O 1.224 -0.242 0 CA-C-O 121.044 0.449 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.33 -54.67 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.438 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.73 -38.35 83.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.429 0.633 . . . . 0.0 109.366 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 36.4 mt-10 -65.41 -30.07 70.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.99 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 13.8 tp10 -58.26 -45.67 87.39 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.18 86.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.767 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.42 -48.29 82.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.073 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -65.98 -35.93 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.189 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.69 95.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -74.69 -40.71 61.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.118 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.5 82.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.74 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.014 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.608 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 87.1 m-70 . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 10' ' ' LEU . 3.1 mm? -65.2 -38.11 89.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.51 . . . . 0.0 109.817 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.06 -32.71 61.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.754 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 11.8 pt-20 -63.22 -35.96 82.06 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.424 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.47 -37.73 84.68 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HA ' HD21 ' A' ' 15' ' ' LEU . 96.0 mt -65.39 -46.9 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.705 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 12' ' ' GLU . 59.1 t -65.07 -37.11 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.44 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.628 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -58.03 -40.21 80.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.158 0.504 . . . . 0.0 110.307 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.25 -43.91 63.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.819 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.56 99.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 16.7 ptpt . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.792 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.4 t-80 . . . . . 0 C--O 1.223 -0.332 0 N-CA-C 110.703 -0.11 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.18 -34.62 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 tp -75.52 -45.71 36.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.792 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 17.2 pt-20 -68.46 -39.68 81.33 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 6.8 pt-20 -62.54 -39.27 93.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.641 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.36 75.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.23 -46.33 90.14 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.651 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.72 -40.74 87.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.395 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.23 -34.53 73.79 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.387 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.63 -44.45 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.508 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.26 69.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.677 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.995 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.764 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 74.5 t60 . . . . . 0 C--O 1.224 -0.273 0 CA-C-O 120.457 0.17 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.27 -37.41 83.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 109.706 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -77.39 -45.31 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.247 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.764 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.82 -38.52 89.15 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.66 -47.33 86.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.58 78.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.048 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.65 -51.25 70.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.687 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -67.75 -42.13 85.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -45.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.411 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.73 -39.27 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.86 67.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.828 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.026 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.562 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 34.2 m170 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.46 -36.03 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.264 0.554 . . . . 0.0 110.143 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -74.4 -47.29 34.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.117 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.0 pt-20 -67.42 -39.08 85.48 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.67 -43.61 89.95 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.83 72.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.83 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 15' ' ' LEU . 2.1 tm? -59.82 -47.08 87.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.01 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 12' ' ' GLU . 93.1 t -60.92 -37.38 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.683 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -63.43 -43.0 98.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.389 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.29 -38.53 65.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.876 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.31 -43.61 71.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 0.0 111.657 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 57.9 pttt . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.974 0.416 . . . . 0.0 110.968 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 8.9 p80 . . . . . 0 C--O 1.219 -0.534 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' H ' HD11 ' A' ' 10' ' ' LEU . 6.6 mp -56.62 -35.98 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 109.694 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 tp -71.45 -42.98 67.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.919 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.0 pt-20 -67.51 -33.7 75.62 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.382 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.737 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 58.3 mm-40 -56.67 -49.44 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.36 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.01 -52.65 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.0 -40.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -57.73 -48.22 80.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -66.03 -42.32 89.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.266 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.47 87.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.461 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.107 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.623 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 59.7 t-80 . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 10' ' ' LEU . 3.2 mm? -56.01 -35.3 66.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.111 0.482 . . . . 0.0 110.998 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 11' ' ' LEU . 39.1 mt -79.85 -39.65 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.633 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.3 pt-20 -63.17 -32.6 74.04 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.97 -49.16 77.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.146 0.498 . . . . 0.0 109.7 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.65 82.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.092 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.02 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.13 -40.15 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.24 88.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -68.23 -39.45 82.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.28 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.07 96.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 111.123 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.18 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.834 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 59.1 t-80 . . . . . 0 C--O 1.223 -0.31 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' H ' HD11 ' A' ' 10' ' ' LEU . 7.0 mp -57.8 -31.03 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 11' ' ' LEU . 2.7 tm? -79.13 -45.94 18.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.412 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.834 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.7 pt-20 -66.43 -40.85 89.76 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.05 -40.88 97.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.59 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 15' ' ' LEU . 2.4 tm? -59.91 -49.96 75.63 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 93.2 t -63.85 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.58 96.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.409 . . . . 0.0 110.327 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.62 -39.67 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.234 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.4 88.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 80.4 mttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.461 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 23.0 t60 . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.34 -43.1 74.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.462 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.714 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 44.3 mt-10 -64.69 -40.67 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -45.34 82.93 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.93 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.706 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 62.8 tp -58.07 -51.65 68.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.572 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.65 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.072 0.463 . . . . 0.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.577 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -59.43 -38.51 80.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.872 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.73 -39.47 26.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.99 75.86 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.504 0.503 . . . . 0.0 111.924 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 20.9 pttp . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 0.0 111.569 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.825 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 70.5 t60 . . . . . 0 C--O 1.222 -0.365 0 CA-C-O 120.3 0.095 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.55 -45.31 85.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.834 0.349 . . . . 0.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 11' ' ' LEU . 2.6 tm? -80.27 -45.24 18.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.825 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 19.9 pt-20 -61.79 -35.24 77.59 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.2 -48.59 81.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.93 84.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.002 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.26 -50.95 71.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 98.5 t -67.65 -41.09 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.14 83.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -69.4 -41.6 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -49.22 77.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.746 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 7.1 ptmm? . . . . . 0 C--O 1.238 0.47 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.9 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 56.0 t-80 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 7.1 mp -55.16 -34.33 63.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.128 0.49 . . . . 0.0 110.502 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.67 -41.08 24.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.9 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 23.1 pt-20 -67.05 -39.82 86.99 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.505 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 11.0 pt-20 -64.2 -42.12 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.0 -34.2 71.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.897 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -56.68 -51.17 69.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.17 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.83 93.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.458 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.97 -40.35 68.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.654 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.86 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.519 0.512 . . . . 0.0 111.268 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 179.647 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.703 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 31.3 t60 . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.64 -45.79 90.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 110.915 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 11' ' ' LEU . 3.9 mm? -80.28 -39.38 28.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.703 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 14.7 pt-20 -64.28 -30.12 71.18 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.815 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 1.6 tp10 -58.71 -49.98 75.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.648 0.737 . . . . 0.0 109.07 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.61 81.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.287 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.39 -48.37 81.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.11 -39.4 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.836 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.69 68.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.85 0.357 . . . . 0.0 111.221 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.06 -18.72 63.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.792 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.5 72.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 0.0 110.464 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.92 178.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.692 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 91.1 m-70 . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.39 -39.23 46.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.902 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.38 -44.31 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.9 pt-20 -68.38 -32.21 72.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 61.2 mm-40 -57.91 -41.43 82.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.56 87.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.917 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -46.55 85.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.88 -40.87 84.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.64 80.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.459 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -76.2 -45.31 33.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.087 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.44 71.57 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.886 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 70.0 t60 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.63 -42.33 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.217 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -81.08 -38.3 27.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.628 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -38.42 75.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.609 0.242 . . . . 0.0 110.908 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.38 79.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.287 0.565 . . . . 0.0 109.562 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.52 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.767 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.44 -49.99 75.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.3 -33.83 66.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.505 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -44.73 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.349 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.3 91.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.836 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 57.9 t60 . . . . . 0 C--O 1.224 -0.28 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 6.9 mp -56.81 -38.71 72.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.275 0.559 . . . . 0.0 110.363 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.13 -42.09 57.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.066 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.836 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.4 pt-20 -68.27 -41.49 80.97 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 14.9 pt-20 -64.47 -38.92 92.72 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -35.86 80.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.83 -48.43 81.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.088 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.37 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.318 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.52 87.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.422 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -78.52 -39.05 39.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.263 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.22 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.306 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? . . . . . 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.945 -179.412 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB3' HD22 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 1' ' ' ALA . 2.0 pt? -151.6 52.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.764 0.792 . . . . 0.0 109.02 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.27 50.0 0.61 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.804 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -70.76 -24.27 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.254 0.55 . . . . 0.0 109.541 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -141.67 120.73 12.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.552 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.529 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 24.8 tptp 67.0 105.05 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 124.018 0.824 . . . . 0.0 110.797 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.529 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 31.1 Cg_endo -64.6 138.82 60.97 Favored 'Trans proline' 0 C--O 1.237 0.475 0 C-N-CA 123.047 2.498 . . . . 0.0 113.333 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.7 t30 59.52 36.77 22.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.609 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.769 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 8.7 p-80 -81.02 -22.66 39.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.606 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.6 pt? -63.43 -40.95 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 0.0 110.473 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -80.44 -39.71 27.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.769 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.959 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.13 -41.36 92.5 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.58 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.29 -47.31 77.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.804 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 60.8 t -64.5 -36.63 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.323 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -55.16 -35.55 64.88 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.61 -40.03 43.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.482 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.035 ' HA ' ' HB2' ' A' ' 23' ' ' ASN . . . -59.7 -56.22 24.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.471 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 40.1 pttt -75.2 55.06 0.73 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 109.597 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HE3' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -168.18 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.32 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.63 61.39 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.057 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 1.035 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -72.77 64.57 0.67 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' HA ' HD21 ' A' ' 24' ' ' LEU . 88.7 mt 56.79 40.97 28.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.74 62.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 23' ' ' ASN . . . -152.87 151.78 23.54 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.691 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 7.9 mp 57.8 58.31 7.05 Favored Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.872 0.469 . . . . 0.0 111.876 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 27' ' ' LEU . 6.0 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.705 2.27 . . . . 0.0 111.827 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.0 tp 61.2 57.66 2.4 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.817 0.698 . . . . 0.0 110.081 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 57.73 -155.99 0.32 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.217 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.577 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 5.2 m 53.51 53.41 11.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.515 0.674 . . . . 0.0 109.696 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.39 121.67 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.73 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.577 ' HD2' ' O ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -92.66 140.2 23.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.74 -48.39 17.03 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.283 1.988 . . . . 0.0 111.314 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -97.79 39.18 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.774 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 27.8 p80 -62.92 -32.25 73.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -57.25 -34.35 68.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.936 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.05 -46.41 29.37 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.299 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.774 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 9.4 pt-20 -70.35 -41.92 72.52 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 61.3 mt-10 -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.21 0.529 . . . . 0.0 109.62 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.25 82.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.715 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.004 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.45 -39.84 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.433 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.36 83.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.14 0.495 . . . . 0.0 110.322 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.85 -44.74 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.133 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.23 82.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.51 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HZ2' ' C ' ' A' ' 28' ' ' PRO . 16.6 tptm -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.308 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 8.9 ptpp? -76.84 -30.53 56.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.23 96.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.715 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -79.37 67.03 5.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.219 . . . . 0.0 110.57 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp 75.44 -38.02 0.35 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.832 0.853 . . . . 0.0 111.68 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.595 ' HA2' ' HA ' ' A' ' 21' ' ' LYS . . . 93.06 55.6 1.59 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.3 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -148.03 -172.29 17.86 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 3.9 mm? 71.11 141.21 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 123.372 0.669 . . . . 0.0 111.415 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.436 ' C ' ' HZ2' ' A' ' 20' ' ' LYS . 28.1 Cg_endo . . . . . 0 C--O 1.245 0.849 0 C-N-CA 122.818 2.345 . . . . 0.0 111.693 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.0 tp 65.82 49.18 1.73 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.814 0.697 . . . . 0.0 109.585 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -63.37 103.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.036 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 t -172.81 32.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.014 0.912 . . . . 0.0 109.381 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -80.61 61.82 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.067 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.625 ' HG2' ' OE2' ' A' ' 12' ' ' GLU . 5.7 tppp? -64.84 120.89 70.22 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.23 132.09 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 111.748 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.01 39.98 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.816 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 11.2 t-80 -61.7 -32.74 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.863 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.17 -38.58 91.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.7 mm? -71.82 -40.61 69.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.619 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.625 ' OE2' ' HG2' ' A' ' 6' ' ' LYS . 7.5 pt-20 -65.59 -34.0 77.21 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.637 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -43.38 98.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.91 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.778 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.09 -48.15 81.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.629 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.713 ' HA ' HD11 ' A' ' 27' ' ' LEU . 53.2 t -68.84 -35.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.146 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.868 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . . . -56.37 -36.95 69.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.056 0.455 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -68.3 -44.28 75.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' GLY . . . -63.35 -36.99 85.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.537 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.868 ' HD2' ' HA ' ' A' ' 17' ' ' ALA . 86.8 mttt -54.01 -30.48 47.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -122.44 32.84 5.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 19' ' ' ALA . . . 150.58 111.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.1 48.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 24' ' ' LEU . 3.5 mm? -94.68 90.82 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 -45.87 3.14 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.053 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.05 123.96 15.89 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.889 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.713 HD11 ' HA ' ' A' ' 16' ' ' VAL . 10.8 mp 66.94 88.4 0.11 Allowed Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 123.15 0.58 . . . . 0.0 111.33 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo . . . . . 0 C--O 1.252 1.225 0 C-N-CA 123.034 2.489 . . . . 0.0 112.145 179.628 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 99.2 mt 65.85 43.07 3.21 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.88 0.738 . . . . 0.0 110.477 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.09 135.95 57.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.877 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 p 50.88 49.08 21.82 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.252 0.621 . . . . 0.0 111.824 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -69.37 137.67 53.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.583 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -72.85 124.53 90.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.522 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.487 ' HB2' ' H ' ' A' ' 8' ' ' ASN . 88.1 Cg_endo -82.43 -143.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.527 2.151 . . . . 0.0 112.373 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' ND2' ' HB3' ' A' ' 11' ' ' LEU . 53.5 t30 -78.4 42.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.717 0.77 . . . . 0.0 110.3 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.673 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.5 t60 -65.56 -44.77 85.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.629 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.2 pt? -53.67 -39.37 65.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.102 0.477 . . . . 0.0 111.22 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 2.5 tm? -80.61 -42.49 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.673 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 18.8 pt-20 -63.1 -34.34 77.39 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.434 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -60.1 -46.23 90.3 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.45 81.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.917 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.16 -48.27 82.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.026 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 12' ' ' GLU . 86.8 t -63.91 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.112 0.482 . . . . 0.0 110.354 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -70.22 -42.27 72.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.862 ' HA ' ' HB3' ' A' ' 23' ' ' ASN . . . -60.12 -37.4 79.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.215 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.847 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -57.66 -29.86 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.34 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -76.79 37.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.792 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.16 28.29 72.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.542 -0.361 . . . . 0.0 113.02 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.862 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 48.7 t30 -76.4 -35.92 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 pp -157.58 151.52 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.352 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.34 -53.49 3.89 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.76 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.91 30.21 68.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.253 -0.498 . . . . 0.0 112.508 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 55.2 tp -169.09 -57.15 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 122.294 0.238 . . . . 0.0 110.514 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' C ' ' HZ2' ' A' ' 20' ' ' LYS . 35.7 Cg_endo . . . . . 0 C--O 1.252 1.195 0 C-N-CA 121.968 1.779 . . . . 0.0 111.32 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' H3 ' ' CD ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.728 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -160.62 45.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.534 0.683 . . . . 0.0 109.723 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' CD ' ' H3 ' ' A' ' 1' ' ' ALA . 8.8 mp0 -94.91 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 m -69.34 -49.68 53.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.163 0.506 . . . . 0.0 110.453 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -92.81 35.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.755 0.788 . . . . 0.0 110.442 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.728 ' HD3' ' HA ' ' A' ' 2' ' ' LEU . 3.7 ttpp -69.3 124.38 90.33 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.419 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HB2' ' H ' ' A' ' 8' ' ' ASN . 16.2 Cg_endo -90.63 -132.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.491 2.794 . . . . 0.0 110.484 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.512 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 30.1 t-20 -88.49 109.54 20.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.731 ' HA ' ' CG ' ' A' ' 12' ' ' GLU . 1.7 p80 -63.04 -31.88 73.11 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.85 -35.93 79.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.86 -48.48 37.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.112 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.731 ' CG ' ' HA ' ' A' ' 9' ' ' HIS . 10.7 pt-20 -66.73 -37.32 84.42 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -58.63 -47.04 85.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.33 85.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.069 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 19' ' ' ALA . 60.1 tp -56.43 -52.34 65.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.709 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.64 -40.5 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.828 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.14 -41.57 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -79.57 -41.25 27.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.983 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 15' ' ' LEU . . . -58.04 -40.73 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.915 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HZ2' ' HG2' ' A' ' 20' ' ' LYS . 36.6 tttm -72.17 -14.11 61.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.892 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 47.6 mmtm -71.58 -43.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.93 121.21 0.55 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.613 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -173.51 -65.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.922 0.392 . . . . 0.0 110.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.6 -48.18 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.232 0.539 . . . . 0.0 110.461 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.15 -141.75 7.68 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 42.53 40.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.718 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.6 pt? -155.37 143.43 14.32 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 5.8 Cg_exo . . . . . 0 C--O 1.248 1.023 0 C-N-CA 123.027 2.484 . . . . 0.0 111.877 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 tp 71.07 139.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.24 0.962 . . . . 0.0 110.56 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.75 126.32 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.4 m -69.49 -40.29 77.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.416 0.627 . . . . 0.0 109.758 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -87.76 129.03 35.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.287 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 68.5 mmtt -132.93 124.7 18.78 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 6.8 Cg_exo -73.87 60.16 4.44 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.27 2.646 . . . . 0.0 111.803 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 10' ' ' LEU . 51.9 t30 65.73 23.76 11.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 122.584 1.183 . . . . 0.0 109.395 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 32.9 t-80 -81.16 32.44 0.33 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.094 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 8' ' ' ASN . 57.9 tp -75.33 -54.67 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.438 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.73 -38.35 83.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.429 0.633 . . . . 0.0 109.366 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 36.4 mt-10 -65.41 -30.07 70.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.99 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 13.8 tp10 -58.26 -45.67 87.39 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.18 86.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.767 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.42 -48.29 82.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.073 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -65.98 -35.93 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.189 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.69 95.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -74.69 -40.71 61.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.118 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.5 82.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.74 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -77.85 13.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -139.56 22.4 2.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.875 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.76 147.27 22.78 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.185 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.79 -33.16 70.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -151.98 129.61 11.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.84 -132.68 2.26 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.8 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.21 42.77 34.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.263 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 28' ' ' PRO . 36.5 tp -154.77 127.7 4.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' HD2' HD13 ' A' ' 27' ' ' LEU . 97.5 Cg_endo . . . . . 0 C--O 1.248 1.012 0 C-N-CA 122.81 2.34 . . . . 0.0 112.222 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.504 0.192 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' HA ' HD11 ' A' ' 2' ' ' LEU . 22.0 tp 62.15 54.92 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.291 0.567 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -74.06 48.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.071 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m -72.64 -44.08 62.37 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.384 0.612 . . . . 0.0 110.068 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 3.4 pm0 -74.37 132.72 42.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.633 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -81.53 116.26 61.88 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -85.72 48.18 2.08 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.632 2.888 . . . . 0.0 112.149 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 58.07 76.03 0.35 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.091 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.608 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 87.1 m-70 -57.77 -20.29 34.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.103 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 10' ' ' LEU . 3.1 mm? -65.2 -38.11 89.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.51 . . . . 0.0 109.817 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.06 -32.71 61.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.754 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 11.8 pt-20 -63.22 -35.96 82.06 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.424 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.47 -37.73 84.68 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HA ' HD21 ' A' ' 15' ' ' LEU . 96.0 mt -65.39 -46.9 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.705 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 12' ' ' GLU . 59.1 t -65.07 -37.11 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.44 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.628 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -58.03 -40.21 80.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.158 0.504 . . . . 0.0 110.307 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.25 -43.91 63.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.819 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.56 99.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 16.7 ptpt -64.75 -25.01 67.75 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 3.2 tmmm? -83.07 -38.76 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.335 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.96 143.22 5.47 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -61.83 128.86 38.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' H ' HD22 ' A' ' 24' ' ' LEU . 3.1 mm? -67.51 -40.43 85.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.06 -52.23 0.17 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.76 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.21 -47.16 0.22 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.768 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.69 135.53 64.13 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.118 . . . . 0.0 110.715 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo . . . . . 0 C--O 1.253 1.244 0 C-N-CA 122.86 2.373 . . . . 0.0 112.113 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.596 0.236 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 2' ' ' LEU . 20.1 tp -168.93 41.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.833 0.825 . . . . 0.0 109.177 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 45.7 mp0 -73.96 141.58 45.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.472 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 t -63.7 -32.61 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -82.06 48.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 9' ' ' HIS . 52.4 mtpt 67.78 102.58 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HA ' ' OE1' ' A' ' 3' ' ' GLU . 55.6 Cg_endo -70.25 64.41 2.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.361 2.707 . . . . 0.0 112.572 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.93 26.94 10.94 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 122.035 0.921 . . . . 0.0 108.83 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.792 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.4 t-80 -61.65 -27.95 69.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.703 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.18 -34.62 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 tp -75.52 -45.71 36.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.792 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 17.2 pt-20 -68.46 -39.68 81.33 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 6.8 pt-20 -62.54 -39.27 93.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.641 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.36 75.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.23 -46.33 90.14 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.651 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.72 -40.74 87.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.395 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.23 -34.53 73.79 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.387 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 28.9 t80 -80.63 -44.45 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.508 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.26 69.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.677 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -62.6 -26.99 68.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 18' ' ' PHE . 33.0 mttm -75.82 -35.17 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.077 0.465 . . . . 0.0 110.368 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.96 119.58 0.89 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.71 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -74.62 -16.99 60.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 29.6 tp 72.66 -52.09 0.7 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.508 0.723 . . . . 0.0 111.163 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.13 -137.43 19.86 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.05 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.94 56.3 4.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.392 -0.432 . . . . 0.0 113.152 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 94.8 mt -130.62 137.15 30.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.764 2.309 . . . . 0.0 112.231 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 tp 68.86 122.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.185 0.928 . . . . 0.0 111.055 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 43.94 37.64 1.82 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.636 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -89.11 53.28 2.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.439 0.638 . . . . 0.0 110.08 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -63.45 148.16 49.35 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.915 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.547 ' CB ' ' HB2' ' A' ' 9' ' ' HIS . 36.3 mmtm -147.56 136.87 11.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.208 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.33 -43.3 41.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.999 2.466 . . . . 0.0 113.543 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.54 46.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.668 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.764 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 74.5 t60 -60.54 -36.25 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.864 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.27 -37.41 83.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 109.706 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -77.39 -45.31 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.247 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.764 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.82 -38.52 89.15 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.66 -47.33 86.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.58 78.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.048 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.65 -51.25 70.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.687 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -67.75 -42.13 85.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -45.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.411 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.73 -39.27 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.86 67.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.828 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.576 ' HZ2' ' C ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -70.03 -29.2 66.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.026 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HB3' ' HZ1' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -71.49 -42.82 67.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.483 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.11 25.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.316 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -158.8 48.63 0.34 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' HD23 ' A' ' 27' ' ' LEU . 92.3 mt -86.08 45.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.38 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.27 -44.97 2.24 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.656 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -153.08 -125.98 1.12 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 45.16 66.66 4.97 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.711 0.804 . . . . 0.0 112.162 -179.425 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.576 ' C ' ' HZ2' ' A' ' 20' ' ' LYS . 36.2 Cg_exo . . . . . 0 C--O 1.248 1.011 0 C-N-CA 123.033 2.489 . . . . 0.0 112.45 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt 57.6 53.51 7.22 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' CD ' ' H2 ' ' A' ' 1' ' ' ALA . 3.3 mm-40 -55.05 127.5 29.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.863 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -177.57 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 59.02 41.77 20.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.787 0.803 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 68.7 mttm -146.64 57.52 3.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 31.5 Cg_exo -58.56 -44.54 36.38 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.029 1.819 . . . . 0.0 111.099 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -153.94 29.13 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.529 1.156 . . . . 0.0 107.917 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.562 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 34.2 m170 -75.06 -27.22 59.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.66 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.46 -36.03 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.264 0.554 . . . . 0.0 110.143 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -74.4 -47.29 34.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.117 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.0 pt-20 -67.42 -39.08 85.48 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.67 -43.61 89.95 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.83 72.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.83 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 15' ' ' LEU . 2.1 tm? -59.82 -47.08 87.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.01 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 12' ' ' GLU . 93.1 t -60.92 -37.38 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.683 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -63.43 -43.0 98.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.389 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.29 -38.53 65.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.876 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.31 -43.61 71.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 0.0 111.657 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 57.9 pttt -83.93 34.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.974 0.416 . . . . 0.0 110.968 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -151.98 -51.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.628 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.09 137.53 13.34 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.098 -0.573 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.93 -40.25 94.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 tp -169.5 -51.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 45.75 46.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.707 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.96 -107.93 3.2 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.221 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 tp 61.37 66.33 1.63 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.938 0.434 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 179.66 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.78 -175.33 2.71 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.02 154.4 30.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.5 m 82.17 -47.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 48.5 tt0 -86.26 42.58 1.0 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 4.2 tptm -88.67 134.29 34.28 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.322 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.03 70.04 1.75 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.093 2.529 . . . . 0.0 112.222 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 68.44 66.25 0.32 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.103 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 8.9 p80 -60.73 -16.04 35.66 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' H ' HD11 ' A' ' 10' ' ' LEU . 6.6 mp -56.62 -35.98 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 109.694 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 tp -71.45 -42.98 67.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.919 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.0 pt-20 -67.51 -33.7 75.62 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.382 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.737 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 58.3 mm-40 -56.67 -49.44 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.36 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.01 -52.65 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.0 -40.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' GLU . . . -57.73 -48.22 80.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.761 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 3.3 m-30 -66.03 -42.32 89.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.266 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.47 87.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.461 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 1.6 tmtp? -58.36 -57.93 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.107 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 177.95 37.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 0.0 109.958 178.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 18' ' ' PHE . . . 65.87 47.22 77.0 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.036 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 65.42 -144.63 0.21 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.991 0.516 . . . . 0.0 109.679 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -94.9 57.96 2.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.44 -42.47 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.069 -1.062 . . . . 0.0 113.067 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' HA2' ' HA3' ' A' ' 22' ' ' GLY . . . 86.15 33.31 14.97 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.091 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 94.3 mt 60.44 62.66 3.12 Favored Pre-proline 0 N--CA 1.467 0.413 0 C-N-CA 122.958 0.503 . . . . 0.0 112.152 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 27' ' ' LEU . 5.2 Cg_endo . . . . . 0 C--O 1.253 1.255 0 C-N-CA 122.939 2.426 . . . . 0.0 111.947 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 2' ' ' LEU . 2.5 pt? -163.84 142.7 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.87 129.16 37.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -141.94 50.91 1.52 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.324 0.583 . . . . 0.0 109.904 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 60.44 48.47 7.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -74.75 130.95 80.33 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.257 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 7.7 Cg_exo -73.68 -21.06 19.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.936 2.424 . . . . 0.0 112.02 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.533 HD21 ' HG ' ' A' ' 11' ' ' LEU . 36.4 t30 64.52 70.64 0.48 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.463 -0.789 . . . . 0.0 108.957 -178.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.623 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 59.7 t-80 -48.18 -30.74 4.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.009 -1.45 . . . . 0.0 112.574 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 10' ' ' LEU . 3.2 mm? -56.01 -35.3 66.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.111 0.482 . . . . 0.0 110.998 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.533 ' HG ' HD21 ' A' ' 8' ' ' ASN . 39.1 mt -79.85 -39.65 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.633 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.3 pt-20 -63.17 -32.6 74.04 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.97 -49.16 77.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.146 0.498 . . . . 0.0 109.7 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.65 82.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.092 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.02 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.13 -40.15 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.24 88.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -68.23 -39.45 82.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.28 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HA ' HD13 ' A' ' 27' ' ' LEU . . . -60.25 -43.07 96.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 111.123 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -71.94 -37.96 69.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.78 -48.77 44.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.626 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.08 32.79 3.45 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.452 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.06 -54.52 10.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.219 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.3 mm? -74.66 -32.28 62.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.76 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.99 124.44 1.17 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.87 -46.34 0.59 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.732 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 88.9 mt -80.44 -55.29 0.76 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 90.1 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.417 2.078 . . . . 0.0 111.903 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.961 0.41 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.1 pt? -169.24 42.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.05 60.04 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -79.6 56.94 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.185 0.517 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -62.75 131.96 50.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.653 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 44.2 mtmt -145.81 59.2 5.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 13.7 Cg_exo -69.22 -63.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.249 1.966 . . . . 0.0 112.196 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -109.64 36.14 3.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.319 0.58 . . . . 0.0 109.819 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.834 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 59.1 t-80 -65.63 -35.25 80.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.478 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' H ' HD11 ' A' ' 10' ' ' LEU . 7.0 mp -57.8 -31.03 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 11' ' ' LEU . 2.7 tm? -79.13 -45.94 18.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.412 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.834 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.7 pt-20 -66.43 -40.85 89.76 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.05 -40.88 97.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.59 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 15' ' ' LEU . 2.4 tm? -59.91 -49.96 75.63 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 93.2 t -63.85 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.58 96.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.409 . . . . 0.0 110.327 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.62 -39.67 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.234 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.4 88.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HE2' ' HD3' ' A' ' 28' ' ' PRO . 80.4 mttt -59.65 -35.71 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -67.71 -34.69 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.477 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.66 40.44 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.906 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' OD1' ' HG ' ' A' ' 24' ' ' LEU . 8.4 t-20 -78.53 -117.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.484 0.314 . . . . 0.0 110.272 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' HG ' ' OD1' ' A' ' 23' ' ' ASN . 3.5 pp -166.45 150.43 7.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.964 0.412 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.49 -106.94 2.03 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.489 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.53 39.38 0.7 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.742 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD11 ' HD2' ' A' ' 28' ' ' PRO . 21.5 tp -131.47 137.57 30.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HD2' HD11 ' A' ' 27' ' ' LEU . 46.6 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.348 2.032 . . . . 0.0 112.115 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' H3 ' ' CD ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.949 0.404 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 2' ' ' LEU . 2.3 pt? -166.16 38.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' HG3' ' HA ' ' A' ' 7' ' ' PRO . 7.2 mp0 -80.13 45.48 0.74 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.21 -177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -67.96 -34.75 77.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.542 0.687 . . . . 0.0 109.832 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 15.5 pt20 -137.71 56.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.73 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 34.9 mmtp 82.1 152.71 0.12 Allowed Pre-proline 0 N--CA 1.469 0.517 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.545 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' HA ' ' HG3' ' A' ' 3' ' ' GLU . 27.1 Cg_exo -62.36 133.15 41.74 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.348 2.032 . . . . 0.0 111.879 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -76.95 60.37 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.385 0.612 . . . . 0.0 109.576 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.461 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 23.0 t60 -58.95 -28.08 65.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.945 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.34 -43.1 74.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.462 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.714 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 44.3 mt-10 -64.69 -40.67 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -45.34 82.93 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.93 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.706 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HA3' ' A' ' 26' ' ' GLY . 62.8 tp -58.07 -51.65 68.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.572 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.65 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.072 0.463 . . . . 0.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.577 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -59.43 -38.51 80.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.872 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.848 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 3.1 m-85 -80.73 -39.47 26.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.223 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 21' ' ' LYS . . . -56.04 -41.99 75.86 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.504 0.503 . . . . 0.0 111.924 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 20.9 pttp -76.93 37.43 0.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 0.0 111.569 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' A' ' 18' ' ' PHE . 48.2 mtmt -147.94 17.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.72 -118.81 0.8 Allowed Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.35 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -73.37 127.86 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.309 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.87 137.31 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.88 136.11 4.1 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.433 ' HA3' HD23 ' A' ' 15' ' ' LEU . . . 76.24 59.61 3.3 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.218 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.854 ' HG ' ' HD3' ' A' ' 28' ' ' PRO . 1.4 pt? -140.17 -41.37 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.626 0 CA-C-O 118.943 -0.551 . . . . 0.0 112.284 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.854 ' HD3' ' HG ' ' A' ' 27' ' ' LEU . 83.9 Cg_endo . . . . . 0 C--O 1.253 1.256 0 C-N-CA 121.675 1.583 . . . . 0.0 111.961 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.413 ' H2 ' ' CD ' ' A' ' 13' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.88 135.49 2.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 39.73 40.71 0.7 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.227 0.954 . . . . 0.0 112.065 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -87.68 -24.32 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.472 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 55.22 59.0 4.23 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . 37.1 mmtm -134.19 145.11 54.16 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.75 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.64 -48.56 11.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.933 3.089 . . . . 0.0 114.975 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.423 HD22 ' HB3' ' A' ' 11' ' ' LEU . 55.7 t30 -152.3 44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 111.1 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.825 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 70.5 t60 -69.1 -29.4 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.854 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.55 -45.31 85.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.834 0.349 . . . . 0.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 11' ' ' LEU . 2.6 tm? -80.27 -45.24 18.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.825 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 19.9 pt-20 -61.79 -35.24 77.59 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CD ' ' H2 ' ' A' ' 1' ' ' ALA . 38.3 tt0 -60.2 -48.59 81.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.93 84.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.002 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.26 -50.95 71.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 98.5 t -67.65 -41.09 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.14 83.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -69.4 -41.6 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -49.22 77.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.746 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 7.1 ptmm? -83.46 43.48 0.9 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -44.75 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.638 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.41 121.69 0.59 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.613 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -162.68 34.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.648 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.75 -24.58 20.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.704 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' HD21 ' A' ' 24' ' ' LEU . . . 169.5 -142.96 7.63 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.25 -127.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.608 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.681 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 6.9 mp -74.11 -54.04 3.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 31.4 Cg_endo . . . . . 0 C--O 1.247 0.961 0 C-N-CA 122.543 2.162 . . . . 0.0 111.816 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt 72.33 137.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.187 0.929 . . . . 0.0 111.414 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 48.1 41.53 15.58 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.919 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -81.71 46.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.339 0.59 . . . . 0.0 109.729 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 51.9 mt-30 -74.09 46.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.146 -178.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.548 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tppm? 171.23 -52.79 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 122.759 0.424 . . . . 0.0 111.512 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 6' ' ' LYS . 50.8 Cg_exo -54.86 -44.45 49.59 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 121.893 1.729 . . . . 0.0 111.258 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.53 51.4 1.43 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.9 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 56.0 t-80 -52.01 -41.56 62.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.946 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 7.1 mp -55.16 -34.33 63.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.128 0.49 . . . . 0.0 110.502 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.67 -41.08 24.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.9 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 23.1 pt-20 -67.05 -39.82 86.99 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.505 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 11.0 pt-20 -64.2 -42.12 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.0 -34.2 71.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.897 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -56.68 -51.17 69.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.17 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.83 93.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.458 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.97 -40.35 68.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.654 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.86 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.519 0.512 . . . . 0.0 111.268 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.8 -37.15 85.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 35.5 ttpt -71.49 -40.41 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.634 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.21 137.22 4.35 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -151.73 -26.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.598 0.237 . . . . 0.0 111.046 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 24' ' ' LEU . 3.0 mm? -64.33 124.45 21.78 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.6 83.44 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.847 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.71 47.28 3.75 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.09 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 24' ' ' LEU . 55.7 mt -147.64 130.32 7.85 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--O 1.248 1.025 0 C-N-CA 122.854 2.369 . . . . 0.0 112.285 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.46 40.01 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.57 122.59 13.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.876 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m 70.46 5.13 5.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.472 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -99.12 128.0 45.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.897 0.379 . . . . 0.0 110.506 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 18.3 pttp -166.16 62.41 0.75 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.22 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 22.1 Cg_exo -64.4 -46.66 7.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.399 2.066 . . . . 0.0 111.783 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -151.67 36.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.082 0.944 . . . . 0.0 108.631 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.703 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 31.3 t60 -61.2 -35.33 76.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.762 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.64 -45.79 90.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 110.915 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 11' ' ' LEU . 3.9 mm? -80.28 -39.38 28.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.703 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 14.7 pt-20 -64.28 -30.12 71.18 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.815 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 1.6 tp10 -58.71 -49.98 75.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.648 0.737 . . . . 0.0 109.07 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.61 81.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.287 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 24' ' ' LEU . 61.7 tp -59.39 -48.37 81.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.11 -39.4 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.836 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.69 68.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.85 0.357 . . . . 0.0 111.221 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.06 -18.72 63.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.792 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.5 72.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 0.0 110.464 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.92 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -71.9 -32.12 67.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.949 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.85 -50.64 0.47 Allowed Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.708 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 t-20 179.27 146.7 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 62.8 tp -69.23 -50.97 42.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.47 40.94 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.404 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.05 129.07 1.5 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.248 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 27' ' ' LEU . 2.5 pt? -164.29 144.0 6.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 5.5 Cg_exo . . . . . 0 C--O 1.247 0.957 0 C-N-CA 123.081 2.521 . . . . 0.0 111.907 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' H3 ' ' CD ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 2' ' ' LEU . 37.5 tp -83.58 69.92 10.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' CD ' ' H3 ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -60.46 134.11 56.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.73 -177.626 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.1 m -156.24 -39.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.62 133.34 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.069 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 20.3 pttp -152.69 133.52 7.86 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 33.1 Cg_endo -97.42 -150.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.452 2.768 . . . . 0.0 112.219 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 26.2 t-20 -81.76 81.91 7.63 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.692 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 91.1 m-70 -55.88 -36.28 67.45 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.37 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.39 -39.23 46.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.902 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.38 -44.31 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.9 pt-20 -68.38 -32.21 72.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 61.2 mm-40 -57.91 -41.43 82.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.56 87.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.917 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 95.7 mt -63.55 -46.55 85.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.83 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 28' ' ' PRO . 63.2 t -59.88 -40.87 84.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.64 80.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.459 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -76.2 -45.31 33.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.087 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.44 71.57 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 24' ' ' LEU . 23.7 tptm -59.23 -26.63 65.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.886 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -90.84 34.83 0.9 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.06 -126.81 1.14 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.616 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -77.67 63.57 2.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.0 111.459 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 20' ' ' LYS . 3.4 pp -65.74 146.65 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.03 -149.67 5.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.213 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.18 -43.63 10.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.576 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.3 mm? -91.23 134.59 29.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.707 ' HB3' HG22 ' A' ' 16' ' ' VAL . 78.7 Cg_endo . . . . . 0 C--O 1.252 1.205 0 C-N-CA 122.819 2.346 . . . . 0.0 112.26 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.369 0.128 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.3 mt -151.65 44.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.219 0.533 . . . . 0.0 110.202 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -79.77 126.53 31.07 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.583 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -73.3 -18.97 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 58.47 53.33 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.334 0.588 . . . . 0.0 110.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.722 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . 18.3 mmtp 73.05 135.45 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.589 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -47.67 103.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.567 2.845 . . . . 0.0 114.451 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.667 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 28.4 t30 49.97 30.94 4.34 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.428 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.722 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 70.0 t60 -59.1 -39.98 83.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.729 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.63 -42.33 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.217 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HB2' ' ND2' ' A' ' 8' ' ' ASN . 56.4 mt -81.08 -38.3 27.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.628 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 4.3 mm-40 -57.79 -38.42 75.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.609 0.242 . . . . 0.0 110.908 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.38 79.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.287 0.565 . . . . 0.0 109.562 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.52 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.767 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.44 -49.99 75.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.3 -33.83 66.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.505 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -44.73 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.349 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -58.98 -43.3 91.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -78.76 46.23 0.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HB3' ' HZ1' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -175.86 16.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.72 31.84 68.39 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.712 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' HB2' ' HG3' ' A' ' 21' ' ' LYS . 7.5 t-20 -106.54 52.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.5 0.667 . . . . 0.0 109.846 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.4 mm? -84.42 53.75 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.81 132.71 34.5 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.371 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.81 -47.76 0.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 3.2 mm? -106.16 -54.92 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.66 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 88.8 Cg_endo . . . . . 0 C--O 1.255 1.349 0 C-N-CA 122.32 2.013 . . . . 0.0 111.631 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.53 134.06 48.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 45.02 55.28 6.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 124.032 0.832 . . . . 0.0 111.439 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 m -62.02 -40.57 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.338 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 11.5 mm100 -64.5 137.2 57.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -126.89 67.17 68.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 5' ' ' GLN . 5.9 Cg_exo -78.7 45.08 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.941 2.428 . . . . 0.0 112.19 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 57.99 70.55 0.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.802 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.836 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 57.9 t60 -53.48 -37.0 62.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.752 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 6.9 mp -56.81 -38.71 72.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.275 0.559 . . . . 0.0 110.363 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.13 -42.09 57.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.066 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.836 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.4 pt-20 -68.27 -41.49 80.97 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 14.9 pt-20 -64.47 -38.92 92.72 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -35.86 80.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.83 -48.43 81.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.088 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.37 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.318 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.52 87.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.422 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 25.7 t80 -78.52 -39.05 39.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.263 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 21' ' ' LYS . . . -63.04 -18.22 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.306 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -76.64 32.66 0.13 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.945 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 2.4 ptpt -169.53 35.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.41 0.624 . . . . 0.0 110.064 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.49 178.46 47.82 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -72.63 -31.04 64.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -163.52 137.23 5.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.834 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.26 -35.64 88.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.383 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.61 -43.48 0.11 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -152.42 146.31 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--O 1.246 0.914 0 C-N-CA 123.011 2.474 . . . . 0.0 112.029 -179.268 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.768 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 8.7 p-80 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.815 0.34 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.43 -40.95 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -80.44 -39.71 27.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.768 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.959 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.13 -41.36 92.5 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.58 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.29 -47.31 77.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.804 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 60.8 t -64.5 -36.63 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.323 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -55.16 -35.55 64.88 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.61 -40.03 43.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.482 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.22 24.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.471 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 40.1 pttt . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 109.597 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.786 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 27.8 p80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 120.434 0.159 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -57.25 -34.35 68.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.936 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.05 -46.41 29.37 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.299 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.786 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 9.4 pt-20 -70.35 -41.92 72.52 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 61.3 mt-10 -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.21 0.529 . . . . 0.0 109.62 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.25 82.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.715 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.004 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.45 -39.84 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.433 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.36 83.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.14 0.495 . . . . 0.0 110.322 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.85 -44.74 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.133 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.23 82.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.51 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 tptm . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.308 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 11.2 t-80 . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.17 -38.58 91.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.7 mm? -71.82 -40.61 69.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.619 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 7.5 pt-20 -65.59 -34.0 77.21 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.637 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -43.38 98.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.91 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.778 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.09 -48.15 81.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.629 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 20' ' ' LYS . 53.2 t -68.84 -35.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.146 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . . . -56.37 -36.95 69.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.056 0.455 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -68.3 -44.28 75.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.99 85.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.537 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' ' HA ' ' A' ' 17' ' ' ALA . 86.8 mttt . . . . . 0 N--CA 1.466 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.5 t60 . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 10' ' ' LEU . 2.2 pt? -53.67 -39.37 65.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.102 0.477 . . . . 0.0 111.22 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.61 -42.49 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 18.8 pt-20 -63.1 -34.34 77.39 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.434 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -60.1 -46.23 90.3 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.45 81.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.917 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.16 -48.27 82.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.026 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' GLU . 86.8 t -63.91 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.112 0.482 . . . . 0.0 110.354 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -70.22 -42.27 72.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.4 79.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.215 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.34 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.737 ' HA ' ' CG ' ' A' ' 12' ' ' GLU . 1.7 p80 . . . . . 0 C--O 1.223 -0.332 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.85 -35.93 79.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.86 -48.48 37.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.112 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.737 ' CG ' ' HA ' ' A' ' 9' ' ' HIS . 10.7 pt-20 -66.73 -37.32 84.42 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.04 85.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.33 85.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.069 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.43 -52.34 65.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.709 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.64 -40.5 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.828 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.57 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -79.57 -41.25 27.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.983 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.04 -40.73 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.915 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 tttm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.892 -179.152 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 32.9 t-80 . . . . . 0 C--O 1.224 -0.242 0 CA-C-O 121.044 0.449 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.33 -54.67 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.438 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.73 -38.35 83.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.429 0.633 . . . . 0.0 109.366 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 36.4 mt-10 -65.41 -30.07 70.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.99 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 13.8 tp10 -58.26 -45.67 87.39 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.18 86.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.767 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.42 -48.29 82.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.073 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLU . 99.6 t -65.98 -35.93 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.189 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.69 95.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -74.69 -40.71 61.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.118 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.5 82.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.74 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.014 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 87.1 m-70 . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.2 -38.11 89.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.51 . . . . 0.0 109.817 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.06 -32.71 61.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.754 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 11.8 pt-20 -63.22 -35.96 82.06 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.424 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.47 -37.73 84.68 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.39 -46.9 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.705 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLU . 59.1 t -65.07 -37.11 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.44 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -58.03 -40.21 80.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.158 0.504 . . . . 0.0 110.307 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.25 -43.91 63.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.819 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.56 99.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 16.7 ptpt . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.806 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.4 t-80 . . . . . 0 C--O 1.223 -0.332 0 N-CA-C 110.703 -0.11 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.18 -34.62 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 tp -75.52 -45.71 36.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.806 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 17.2 pt-20 -68.46 -39.68 81.33 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 6.8 pt-20 -62.54 -39.27 93.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.641 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.36 75.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.23 -46.33 90.14 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.651 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' GLU . 61.4 t -61.72 -40.74 87.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.23 -34.53 73.79 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.387 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.63 -44.45 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.508 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.26 69.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.677 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.995 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.748 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 74.5 t60 . . . . . 0 C--O 1.224 -0.273 0 CA-C-O 120.457 0.17 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.27 -37.41 83.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 109.706 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -77.39 -45.31 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.247 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.82 -38.52 89.15 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.66 -47.33 86.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.58 78.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.048 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.65 -51.25 70.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.687 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -67.75 -42.13 85.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -45.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.411 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.73 -39.27 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.86 67.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.828 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.026 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.552 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 34.2 m170 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.46 -36.03 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.264 0.554 . . . . 0.0 110.143 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -74.4 -47.29 34.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.117 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.552 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.0 pt-20 -67.42 -39.08 85.48 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.67 -43.61 89.95 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.83 72.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.83 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.82 -47.08 87.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.01 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLU . 93.1 t -60.92 -37.38 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -63.43 -43.0 98.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.389 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.29 -38.53 65.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.876 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.31 -43.61 71.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 0.0 111.657 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 57.9 pttt . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.974 0.416 . . . . 0.0 110.968 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.746 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 8.9 p80 . . . . . 0 C--O 1.219 -0.534 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 10' ' ' LEU . 6.6 mp -56.62 -35.98 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 109.694 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 tp -71.45 -42.98 67.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.919 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.0 pt-20 -67.51 -33.7 75.62 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.382 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.746 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 58.3 mm-40 -56.67 -49.44 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.36 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.01 -52.65 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.0 -40.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.22 80.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -66.03 -42.32 89.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.266 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.47 87.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.461 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.107 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 59.7 t-80 . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 10' ' ' LEU . 3.2 mm? -56.01 -35.3 66.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.111 0.482 . . . . 0.0 110.998 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.85 -39.65 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.633 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.3 pt-20 -63.17 -32.6 74.04 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.97 -49.16 77.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.146 0.498 . . . . 0.0 109.7 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.65 82.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.092 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.02 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.13 -40.15 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.24 88.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -68.23 -39.45 82.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.28 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.07 96.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 111.123 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.18 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 59.1 t-80 . . . . . 0 C--O 1.223 -0.31 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 10' ' ' LEU . 7.0 mp -57.8 -31.03 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -79.13 -45.94 18.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.412 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.7 pt-20 -66.43 -40.85 89.76 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.05 -40.88 97.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.59 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.4 tm? -59.91 -49.96 75.63 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 93.2 t -63.85 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.58 96.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.409 . . . . 0.0 110.327 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.62 -39.67 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.234 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.4 88.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 80.4 mttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 23.0 t60 . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.34 -43.1 74.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.462 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.714 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 44.3 mt-10 -64.69 -40.67 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -45.34 82.93 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.93 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.706 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 62.8 tp -58.07 -51.65 68.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.572 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.65 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.072 0.463 . . . . 0.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -59.43 -38.51 80.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.872 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.73 -39.47 26.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.99 75.86 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.504 0.503 . . . . 0.0 111.924 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 20.9 pttp . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 0.0 111.569 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 70.5 t60 . . . . . 0 C--O 1.222 -0.365 0 CA-C-O 120.3 0.095 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.55 -45.31 85.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.834 0.349 . . . . 0.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.27 -45.24 18.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.821 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 19.9 pt-20 -61.79 -35.24 77.59 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.2 -48.59 81.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.93 84.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.002 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.26 -50.95 71.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 98.5 t -67.65 -41.09 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.14 83.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -69.4 -41.6 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -49.22 77.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.746 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 7.1 ptmm? . . . . . 0 C--O 1.238 0.47 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.917 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 56.0 t-80 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 7.1 mp -55.16 -34.33 63.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.128 0.49 . . . . 0.0 110.502 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.67 -41.08 24.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.917 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 23.1 pt-20 -67.05 -39.82 86.99 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 11.0 pt-20 -64.2 -42.12 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.0 -34.2 71.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.897 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -56.68 -51.17 69.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.17 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.83 93.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.458 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.97 -40.35 68.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.654 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.86 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.519 0.512 . . . . 0.0 111.268 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 179.647 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.708 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 31.3 t60 . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.64 -45.79 90.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 110.915 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.28 -39.38 28.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 14.7 pt-20 -64.28 -30.12 71.18 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.815 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 1.6 tp10 -58.71 -49.98 75.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.648 0.737 . . . . 0.0 109.07 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.61 81.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.287 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.39 -48.37 81.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.11 -39.4 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.836 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.69 68.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.85 0.357 . . . . 0.0 111.221 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.06 -18.72 63.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.792 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.5 72.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 0.0 110.464 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.92 178.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.701 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 91.1 m-70 . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.39 -39.23 46.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.902 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.38 -44.31 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.9 pt-20 -68.38 -32.21 72.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 61.2 mm-40 -57.91 -41.43 82.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.56 87.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.917 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -46.55 85.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.88 -40.87 84.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.64 80.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.459 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -76.2 -45.31 33.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.087 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.44 71.57 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.886 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 70.0 t60 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 10' ' ' LEU . 2.0 pt? -56.63 -42.33 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.217 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 56.4 mt -81.08 -38.3 27.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.628 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -38.42 75.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.609 0.242 . . . . 0.0 110.908 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.38 79.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.287 0.565 . . . . 0.0 109.562 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.52 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.767 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.44 -49.99 75.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.3 -33.83 66.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.505 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -44.73 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.349 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.3 91.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.843 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 57.9 t60 . . . . . 0 C--O 1.224 -0.28 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 6.9 mp -56.81 -38.71 72.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.275 0.559 . . . . 0.0 110.363 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.13 -42.09 57.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.066 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.4 pt-20 -68.27 -41.49 80.97 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 14.9 pt-20 -64.47 -38.92 92.72 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -35.86 80.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.83 -48.43 81.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.088 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.37 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.318 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.52 87.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.422 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -78.52 -39.05 39.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.263 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.22 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.306 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 20' ' ' LYS . 9.8 tppt? . . . . . 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.945 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -151.6 52.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.764 0.792 . . . . 0.0 109.02 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.27 50.0 0.61 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.804 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -70.76 -24.27 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.254 0.55 . . . . 0.0 109.541 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -141.67 120.73 12.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.552 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 24.8 tptp 67.0 105.05 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 124.018 0.824 . . . . 0.0 110.797 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 31.1 Cg_endo -64.6 138.82 60.97 Favored 'Trans proline' 0 C--O 1.237 0.475 0 C-N-CA 123.047 2.498 . . . . 0.0 113.333 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.7 t30 59.52 36.77 22.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.609 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.768 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 8.7 p-80 -81.02 -22.66 39.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.606 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.43 -40.95 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -80.44 -39.71 27.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.768 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.959 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.13 -41.36 92.5 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.58 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.29 -47.31 77.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.804 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 60.8 t -64.5 -36.63 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.323 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -55.16 -35.55 64.88 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.61 -40.03 43.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.482 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.034 ' HA ' ' HB2' ' A' ' 23' ' ' ASN . . . -59.7 -56.22 24.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.471 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 40.1 pttt -75.2 55.06 0.73 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 109.597 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -168.18 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.32 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.63 61.39 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.057 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 1.034 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 44.9 t-20 -72.77 64.57 0.67 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt 56.79 40.97 28.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.74 62.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 23' ' ' ASN . . . -152.87 151.78 23.54 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.691 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 7.9 mp 57.8 58.31 7.05 Favored Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.872 0.469 . . . . 0.0 111.876 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 27' ' ' LEU . 6.0 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.705 2.27 . . . . 0.0 111.827 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.0 tp 61.2 57.66 2.4 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.817 0.698 . . . . 0.0 110.081 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 57.73 -155.99 0.32 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.217 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.589 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 5.2 m 53.51 53.41 11.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.515 0.674 . . . . 0.0 109.696 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.39 121.67 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.73 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -92.66 140.2 23.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.74 -48.39 17.03 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.283 1.988 . . . . 0.0 111.314 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -97.79 39.18 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.786 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 27.8 p80 -62.92 -32.25 73.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -57.25 -34.35 68.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.936 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.05 -46.41 29.37 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.299 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.786 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 9.4 pt-20 -70.35 -41.92 72.52 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 61.3 mt-10 -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.21 0.529 . . . . 0.0 109.62 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.25 82.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.715 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.004 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.45 -39.84 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.433 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.36 83.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.14 0.495 . . . . 0.0 110.322 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.85 -44.74 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.133 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.23 82.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.51 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.308 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 8.9 ptpp? -76.84 -30.53 56.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.23 96.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.715 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -79.37 67.03 5.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.219 . . . . 0.0 110.57 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp 75.44 -38.02 0.35 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.832 0.853 . . . . 0.0 111.68 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.615 ' HA2' ' HA ' ' A' ' 21' ' ' LYS . . . 93.06 55.6 1.59 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.3 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -148.03 -172.29 17.86 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 3.9 mm? 71.11 141.21 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 123.372 0.669 . . . . 0.0 111.415 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--O 1.245 0.849 0 C-N-CA 122.818 2.345 . . . . 0.0 111.693 179.707 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.0 tp 65.82 49.18 1.73 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.814 0.697 . . . . 0.0 109.585 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -63.37 103.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.036 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 t -172.81 32.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.014 0.912 . . . . 0.0 109.381 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -80.61 61.82 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.067 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HG2' ' OE2' ' A' ' 12' ' ' GLU . 5.7 tppp? -64.84 120.89 70.22 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.23 132.09 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 111.748 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.01 39.98 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.816 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 11.2 t-80 -61.7 -32.74 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.863 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.17 -38.58 91.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.7 mm? -71.82 -40.61 69.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.619 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.641 ' OE2' ' HG2' ' A' ' 6' ' ' LYS . 7.5 pt-20 -65.59 -34.0 77.21 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.637 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -43.38 98.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.91 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.778 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.09 -48.15 81.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.629 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 20' ' ' LYS . 53.2 t -68.84 -35.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.146 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . . . -56.37 -36.95 69.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.056 0.455 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -68.3 -44.28 75.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HA ' ' O ' ' A' ' 22' ' ' GLY . . . -63.35 -36.99 85.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.537 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' ' HA ' ' A' ' 17' ' ' ALA . 86.8 mttt -54.01 -30.48 47.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -122.44 32.84 5.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 19' ' ' ALA . . . 150.58 111.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -81.1 48.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 24' ' ' LEU . 3.5 mm? -94.68 90.82 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 -45.87 3.14 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.053 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.05 123.96 15.89 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.889 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD11 HG22 ' A' ' 16' ' ' VAL . 10.8 mp 66.94 88.4 0.11 Allowed Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 123.15 0.58 . . . . 0.0 111.33 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo . . . . . 0 C--O 1.252 1.225 0 C-N-CA 123.034 2.489 . . . . 0.0 112.145 179.628 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 99.2 mt 65.85 43.07 3.21 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.88 0.738 . . . . 0.0 110.477 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.09 135.95 57.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.877 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 p 50.88 49.08 21.82 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.252 0.621 . . . . 0.0 111.824 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -69.37 137.67 53.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.583 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -72.85 124.53 90.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.522 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' HB2' ' H ' ' A' ' 8' ' ' ASN . 88.1 Cg_endo -82.43 -143.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.527 2.151 . . . . 0.0 112.373 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.472 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 12.7 t-20 -78.4 42.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.717 0.77 . . . . 0.0 110.3 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.5 t60 -65.56 -44.77 85.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.629 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 10' ' ' LEU . 2.2 pt? -53.67 -39.37 65.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.102 0.477 . . . . 0.0 111.22 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.61 -42.49 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 18.8 pt-20 -63.1 -34.34 77.39 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.434 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -60.1 -46.23 90.3 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.45 81.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.917 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.16 -48.27 82.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.026 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' GLU . 86.8 t -63.91 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.112 0.482 . . . . 0.0 110.354 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -70.22 -42.27 72.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.893 ' HA ' ' HB3' ' A' ' 23' ' ' ASN . . . -60.12 -37.4 79.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.215 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -57.66 -29.86 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.34 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -76.79 37.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.792 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.16 28.29 72.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.542 -0.361 . . . . 0.0 113.02 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.893 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 48.7 t30 -76.4 -35.92 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 pp -157.58 151.52 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.352 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.34 -53.49 3.89 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.76 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.91 30.21 68.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.253 -0.498 . . . . 0.0 112.508 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.2 tp -169.09 -57.15 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 122.294 0.238 . . . . 0.0 110.514 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HD2' ' H ' ' A' ' 27' ' ' LEU . 35.7 Cg_endo . . . . . 0 C--O 1.252 1.195 0 C-N-CA 121.968 1.779 . . . . 0.0 111.32 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' H3 ' ' CD ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.745 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -160.62 45.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.534 0.683 . . . . 0.0 109.723 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.433 ' H ' ' HB2' ' A' ' 6' ' ' LYS . 8.8 mp0 -94.91 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 m -69.34 -49.68 53.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.163 0.506 . . . . 0.0 110.453 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.423 ' CD ' ' H ' ' A' ' 5' ' ' GLN . 1.5 pm0 -92.81 35.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.755 0.788 . . . . 0.0 110.442 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' HD3' ' HA ' ' A' ' 2' ' ' LEU . 3.7 ttpp -69.3 124.38 90.33 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.419 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 16.2 Cg_endo -90.63 -132.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.491 2.794 . . . . 0.0 110.484 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 30.1 t-20 -88.49 109.54 20.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.737 ' HA ' ' CG ' ' A' ' 12' ' ' GLU . 1.7 p80 -63.04 -31.88 73.11 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.85 -35.93 79.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.86 -48.48 37.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.112 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.737 ' CG ' ' HA ' ' A' ' 9' ' ' HIS . 10.7 pt-20 -66.73 -37.32 84.42 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.04 85.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.33 85.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.069 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.43 -52.34 65.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.709 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.64 -40.5 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.828 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.14 -41.57 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -79.57 -41.25 27.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.983 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.04 -40.73 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.915 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -72.17 -14.11 61.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.892 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 47.6 mmtm -71.58 -43.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.93 121.21 0.55 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.613 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -173.51 -65.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.922 0.392 . . . . 0.0 110.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.6 -48.18 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.232 0.539 . . . . 0.0 110.461 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.15 -141.75 7.68 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 42.53 40.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.718 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.6 pt? -155.37 143.43 14.32 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 5.8 Cg_exo . . . . . 0 C--O 1.248 1.023 0 C-N-CA 123.027 2.484 . . . . 0.0 111.877 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 tp 71.07 139.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.24 0.962 . . . . 0.0 110.56 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.75 126.32 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.4 m -69.49 -40.29 77.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.416 0.627 . . . . 0.0 109.758 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -87.76 129.03 35.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.287 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 68.5 mmtt -132.93 124.7 18.78 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 6.8 Cg_exo -73.87 60.16 4.44 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.27 2.646 . . . . 0.0 111.803 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 t30 65.73 23.76 11.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 122.584 1.183 . . . . 0.0 109.395 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 32.9 t-80 -81.16 32.44 0.33 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.094 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.33 -54.67 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.438 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.73 -38.35 83.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.429 0.633 . . . . 0.0 109.366 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 36.4 mt-10 -65.41 -30.07 70.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.99 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 13.8 tp10 -58.26 -45.67 87.39 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.18 86.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.767 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.42 -48.29 82.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.073 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLU . 99.6 t -65.98 -35.93 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.189 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.69 95.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -74.69 -40.71 61.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.118 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.5 82.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.74 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -77.85 13.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -139.56 22.4 2.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.875 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.76 147.27 22.78 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.185 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.79 -33.16 70.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 24' ' ' LEU . 1.7 tm? -151.98 129.61 11.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.84 -132.68 2.26 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.8 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.21 42.77 34.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.263 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD12 ' HD2' ' A' ' 28' ' ' PRO . 36.5 tp -154.77 127.7 4.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HD2' HD12 ' A' ' 27' ' ' LEU . 97.5 Cg_endo . . . . . 0 C--O 1.248 1.012 0 C-N-CA 122.81 2.34 . . . . 0.0 112.222 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.504 0.192 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.0 tp 62.15 54.92 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.291 0.567 . . . . 0.0 110.855 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -74.06 48.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.071 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m -72.64 -44.08 62.37 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.384 0.612 . . . . 0.0 110.068 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' CD ' ' H ' ' A' ' 5' ' ' GLN . 3.4 pm0 -74.37 132.72 42.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.633 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -81.53 116.26 61.88 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -85.72 48.18 2.08 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.632 2.888 . . . . 0.0 112.149 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 58.07 76.03 0.35 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.091 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 87.1 m-70 -57.77 -20.29 34.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.103 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.2 -38.11 89.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.51 . . . . 0.0 109.817 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.06 -32.71 61.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.754 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 11.8 pt-20 -63.22 -35.96 82.06 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.424 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.47 -37.73 84.68 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.39 -46.9 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.705 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLU . 59.1 t -65.07 -37.11 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.44 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -58.03 -40.21 80.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.158 0.504 . . . . 0.0 110.307 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.25 -43.91 63.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.819 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.56 99.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 16.7 ptpt -64.75 -25.01 67.75 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 3.2 tmmm? -83.07 -38.76 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.335 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.96 143.22 5.47 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -61.83 128.86 38.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.51 -40.43 85.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.06 -52.23 0.17 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.76 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.21 -47.16 0.22 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.768 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.69 135.53 64.13 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.118 . . . . 0.0 110.715 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo . . . . . 0 C--O 1.253 1.244 0 C-N-CA 122.86 2.373 . . . . 0.0 112.113 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.596 0.236 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 tp -168.93 41.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.833 0.825 . . . . 0.0 109.177 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -73.96 141.58 45.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.472 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 t -63.7 -32.61 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -82.06 48.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 52.4 mtpt 67.78 102.58 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.25 64.41 2.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.361 2.707 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 65.93 26.94 10.94 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 122.035 0.921 . . . . 0.0 108.83 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.806 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.4 t-80 -61.65 -27.95 69.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.703 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.18 -34.62 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 tp -75.52 -45.71 36.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.806 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 17.2 pt-20 -68.46 -39.68 81.33 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 6.8 pt-20 -62.54 -39.27 93.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.641 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.36 75.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.23 -46.33 90.14 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.651 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' GLU . 61.4 t -61.72 -40.74 87.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.23 -34.53 73.79 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.387 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 28.9 t80 -80.63 -44.45 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.508 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.26 69.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.677 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -62.6 -26.99 68.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 18' ' ' PHE . 33.0 mttm -75.82 -35.17 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.077 0.465 . . . . 0.0 110.368 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.96 119.58 0.89 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.71 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -74.62 -16.99 60.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 29.6 tp 72.66 -52.09 0.7 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.508 0.723 . . . . 0.0 111.163 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.13 -137.43 19.86 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.05 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.94 56.3 4.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.392 -0.432 . . . . 0.0 113.152 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 94.8 mt -130.62 137.15 30.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.764 2.309 . . . . 0.0 112.231 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 tp 68.86 122.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.185 0.928 . . . . 0.0 111.055 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 43.94 37.64 1.82 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.636 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -89.11 53.28 2.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.439 0.638 . . . . 0.0 110.08 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -63.45 148.16 49.35 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.915 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.564 ' CB ' ' HB2' ' A' ' 9' ' ' HIS . 36.3 mmtm -147.56 136.87 11.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.208 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.33 -43.3 41.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.999 2.466 . . . . 0.0 113.543 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 11.7 p-10 -147.54 46.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.748 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 74.5 t60 -60.54 -36.25 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.864 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.27 -37.41 83.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 109.706 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 8' ' ' ASN . 58.4 tp -77.39 -45.31 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.247 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.82 -38.52 89.15 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.66 -47.33 86.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.58 78.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.048 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.65 -51.25 70.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.687 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -67.75 -42.13 85.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.05 -45.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.411 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.73 -39.27 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.86 67.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.828 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HZ1' ' C ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -70.03 -29.2 66.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.026 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.49 -42.82 67.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.483 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.11 25.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.316 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -158.8 48.63 0.34 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 27' ' ' LEU . 92.3 mt -86.08 45.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.38 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.27 -44.97 2.24 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.656 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.533 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -153.08 -125.98 1.12 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 45.16 66.66 4.97 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.711 0.804 . . . . 0.0 112.162 -179.425 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.454 ' C ' ' HZ1' ' A' ' 20' ' ' LYS . 36.2 Cg_exo . . . . . 0 C--O 1.248 1.011 0 C-N-CA 123.033 2.489 . . . . 0.0 112.45 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt 57.6 53.51 7.22 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.05 127.5 29.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.863 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 6' ' ' LYS . 9.0 t -177.57 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 59.02 41.77 20.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.787 0.803 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' H ' HG23 ' A' ' 4' ' ' THR . 68.7 mttm -146.64 57.52 3.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 31.5 Cg_exo -58.56 -44.54 36.38 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.029 1.819 . . . . 0.0 111.099 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -153.94 29.13 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.529 1.156 . . . . 0.0 107.917 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.552 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 34.2 m170 -75.06 -27.22 59.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.66 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.46 -36.03 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.264 0.554 . . . . 0.0 110.143 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -74.4 -47.29 34.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.117 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.552 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.0 pt-20 -67.42 -39.08 85.48 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.67 -43.61 89.95 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.83 72.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.83 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.82 -47.08 87.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.01 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLU . 93.1 t -60.92 -37.38 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -63.43 -43.0 98.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.389 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.29 -38.53 65.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.876 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.31 -43.61 71.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 0.0 111.657 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 57.9 pttt -83.93 34.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.974 0.416 . . . . 0.0 110.968 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -151.98 -51.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.628 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.09 137.53 13.34 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.098 -0.573 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.93 -40.25 94.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 tp -169.5 -51.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 45.75 46.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.707 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.96 -107.93 3.2 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.221 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 tp 61.37 66.33 1.63 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.938 0.434 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 179.66 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.78 -175.33 2.71 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 4' ' ' THR . 3.4 mm-40 -63.02 154.4 30.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 3' ' ' GLU . 27.5 m 82.17 -47.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.454 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 48.5 tt0 -86.26 42.58 1.0 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 4.2 tptm -88.67 134.29 34.28 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.322 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.03 70.04 1.75 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.093 2.529 . . . . 0.0 112.222 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 68.44 66.25 0.32 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.103 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.746 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 8.9 p80 -60.73 -16.04 35.66 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 10' ' ' LEU . 6.6 mp -56.62 -35.98 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 109.694 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 tp -71.45 -42.98 67.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.919 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.0 pt-20 -67.51 -33.7 75.62 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.382 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.746 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 58.3 mm-40 -56.67 -49.44 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.36 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.01 -52.65 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.0 -40.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.22 80.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.769 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 3.3 m-30 -66.03 -42.32 89.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.266 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.47 87.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.461 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 1.6 tmtp? -58.36 -57.93 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.107 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 177.95 37.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 0.0 109.958 178.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.769 ' HA2' ' HA ' ' A' ' 18' ' ' PHE . . . 65.87 47.22 77.0 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.036 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 65.42 -144.63 0.21 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.991 0.516 . . . . 0.0 109.679 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -94.9 57.96 2.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.44 -42.47 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.069 -1.062 . . . . 0.0 113.067 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA2' ' HA3' ' A' ' 22' ' ' GLY . . . 86.15 33.31 14.97 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.091 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 94.3 mt 60.44 62.66 3.12 Favored Pre-proline 0 N--CA 1.467 0.413 0 C-N-CA 122.958 0.503 . . . . 0.0 112.152 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 27' ' ' LEU . 5.2 Cg_endo . . . . . 0 C--O 1.253 1.255 0 C-N-CA 122.939 2.426 . . . . 0.0 111.947 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.84 142.7 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.87 129.16 37.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -141.94 50.91 1.52 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.324 0.583 . . . . 0.0 109.904 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 60.44 48.47 7.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -74.75 130.95 80.33 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.257 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 7.7 Cg_exo -73.68 -21.06 19.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.936 2.424 . . . . 0.0 112.02 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 64.52 70.64 0.48 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.463 -0.789 . . . . 0.0 108.957 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 59.7 t-80 -48.18 -30.74 4.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.009 -1.45 . . . . 0.0 112.574 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 10' ' ' LEU . 3.2 mm? -56.01 -35.3 66.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.111 0.482 . . . . 0.0 110.998 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.85 -39.65 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.633 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.3 pt-20 -63.17 -32.6 74.04 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.97 -49.16 77.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.146 0.498 . . . . 0.0 109.7 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.65 82.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.092 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.02 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.13 -40.15 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.24 88.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -68.23 -39.45 82.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.28 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.615 ' HA ' HD11 ' A' ' 27' ' ' LEU . . . -60.25 -43.07 96.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 111.123 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -71.94 -37.96 69.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.78 -48.77 44.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.626 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.08 32.79 3.45 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.452 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.06 -54.52 10.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.219 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -32.28 62.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.76 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.99 124.44 1.17 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.87 -46.34 0.59 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.753 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 88.9 mt -80.44 -55.29 0.76 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.753 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 90.1 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.417 2.078 . . . . 0.0 111.903 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.961 0.41 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -169.24 42.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.05 60.04 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -79.6 56.94 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.185 0.517 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -62.75 131.96 50.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.653 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 44.2 mtmt -145.81 59.2 5.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 13.7 Cg_exo -69.22 -63.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.249 1.966 . . . . 0.0 112.196 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -109.64 36.14 3.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.319 0.58 . . . . 0.0 109.819 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 59.1 t-80 -65.63 -35.25 80.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.478 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 10' ' ' LEU . 7.0 mp -57.8 -31.03 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -79.13 -45.94 18.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.412 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.7 pt-20 -66.43 -40.85 89.76 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.05 -40.88 97.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.59 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.4 tm? -59.91 -49.96 75.63 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 93.2 t -63.85 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.58 96.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.409 . . . . 0.0 110.327 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.62 -39.67 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.234 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.4 88.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HD3' ' A' ' 28' ' ' PRO . 80.4 mttt -59.65 -35.71 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -67.71 -34.69 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.477 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.66 40.44 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.906 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' ' HG ' ' A' ' 24' ' ' LEU . 8.4 t-20 -78.53 -117.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.484 0.314 . . . . 0.0 110.272 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HG ' ' OD1' ' A' ' 23' ' ' ASN . 3.5 pp -166.45 150.43 7.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.964 0.412 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.49 -106.94 2.03 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.489 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.53 39.38 0.7 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.742 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.546 HD12 ' HD2' ' A' ' 28' ' ' PRO . 21.5 tp -131.47 137.57 30.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HD3' ' HE2' ' A' ' 20' ' ' LYS . 46.6 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.348 2.032 . . . . 0.0 112.115 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.949 0.404 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -166.16 38.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' HG3' ' HA ' ' A' ' 7' ' ' PRO . 7.2 mp0 -80.13 45.48 0.74 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.21 -177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -67.96 -34.75 77.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.542 0.687 . . . . 0.0 109.832 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 15.5 pt20 -137.71 56.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.73 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 34.9 mmtp 82.1 152.71 0.12 Allowed Pre-proline 0 N--CA 1.469 0.517 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.545 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HA ' ' HG3' ' A' ' 3' ' ' GLU . 27.1 Cg_exo -62.36 133.15 41.74 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.348 2.032 . . . . 0.0 111.879 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -76.95 60.37 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.385 0.612 . . . . 0.0 109.576 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 23.0 t60 -58.95 -28.08 65.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.945 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.34 -43.1 74.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.462 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.714 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 44.3 mt-10 -64.69 -40.67 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -45.34 82.93 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.93 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.706 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 62.8 tp -58.07 -51.65 68.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.572 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.65 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.072 0.463 . . . . 0.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -59.43 -38.51 80.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.872 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.874 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 3.1 m-85 -80.73 -39.47 26.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.223 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 21' ' ' LYS . . . -56.04 -41.99 75.86 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.504 0.503 . . . . 0.0 111.924 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 20.9 pttp -76.93 37.43 0.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 0.0 111.569 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.874 ' HE2' ' HA ' ' A' ' 18' ' ' PHE . 48.2 mtmt -147.94 17.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.72 -118.81 0.8 Allowed Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.35 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -73.37 127.86 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.309 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.87 137.31 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.88 136.11 4.1 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.24 59.61 3.3 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.218 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.845 ' HG ' ' HD3' ' A' ' 28' ' ' PRO . 1.4 pt? -140.17 -41.37 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.626 0 CA-C-O 118.943 -0.551 . . . . 0.0 112.284 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.845 ' HD3' ' HG ' ' A' ' 27' ' ' LEU . 83.9 Cg_endo . . . . . 0 C--O 1.253 1.256 0 C-N-CA 121.675 1.583 . . . . 0.0 111.961 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.88 135.49 2.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 39.73 40.71 0.7 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.227 0.954 . . . . 0.0 112.065 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -87.68 -24.32 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.472 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 55.22 59.0 4.23 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . 37.1 mmtm -134.19 145.11 54.16 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.75 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.64 -48.56 11.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.933 3.089 . . . . 0.0 114.975 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -152.3 44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 111.1 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 70.5 t60 -69.1 -29.4 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.854 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.55 -45.31 85.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.834 0.349 . . . . 0.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.27 -45.24 18.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.821 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 19.9 pt-20 -61.79 -35.24 77.59 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.2 -48.59 81.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.93 84.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.002 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.26 -50.95 71.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 98.5 t -67.65 -41.09 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.14 83.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -69.4 -41.6 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . . . -57.52 -49.22 77.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.746 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 7.1 ptmm? -83.46 43.48 0.9 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -44.75 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.638 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.41 121.69 0.59 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.613 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 19' ' ' ALA . 45.8 p30 -162.68 34.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.648 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.75 -24.58 20.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.704 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' HD22 ' A' ' 24' ' ' LEU . . . 169.5 -142.96 7.63 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.25 -127.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.608 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 6.9 mp -74.11 -54.04 3.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 31.4 Cg_endo . . . . . 0 C--O 1.247 0.961 0 C-N-CA 122.543 2.162 . . . . 0.0 111.816 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt 72.33 137.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.187 0.929 . . . . 0.0 111.414 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 48.1 41.53 15.58 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.919 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -81.71 46.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.339 0.59 . . . . 0.0 109.729 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 51.9 mt-30 -74.09 46.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.146 -178.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tppm? 171.23 -52.79 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 122.759 0.424 . . . . 0.0 111.512 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 6' ' ' LYS . 50.8 Cg_exo -54.86 -44.45 49.59 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 121.893 1.729 . . . . 0.0 111.258 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -94.53 51.4 1.43 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.917 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 56.0 t-80 -52.01 -41.56 62.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.946 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 7.1 mp -55.16 -34.33 63.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.128 0.49 . . . . 0.0 110.502 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.67 -41.08 24.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.917 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 23.1 pt-20 -67.05 -39.82 86.99 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 11.0 pt-20 -64.2 -42.12 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.0 -34.2 71.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.897 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -56.68 -51.17 69.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.17 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.83 93.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.458 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.97 -40.35 68.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.654 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.86 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.519 0.512 . . . . 0.0 111.268 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.8 -37.15 85.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 35.5 ttpt -71.49 -40.41 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.634 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.21 137.22 4.35 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -151.73 -26.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.598 0.237 . . . . 0.0 111.046 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' HB2' HD12 ' A' ' 27' ' ' LEU . 3.0 mm? -64.33 124.45 21.78 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.6 83.44 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.847 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.71 47.28 3.75 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.09 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 24' ' ' LEU . 55.7 mt -147.64 130.32 7.85 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--O 1.248 1.025 0 C-N-CA 122.854 2.369 . . . . 0.0 112.285 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.46 40.01 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.57 122.59 13.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.876 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m 70.46 5.13 5.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.472 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -99.12 128.0 45.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.897 0.379 . . . . 0.0 110.506 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 18.3 pttp -166.16 62.41 0.75 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.22 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 22.1 Cg_exo -64.4 -46.66 7.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.399 2.066 . . . . 0.0 111.783 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -151.67 36.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.082 0.944 . . . . 0.0 108.631 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.708 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 31.3 t60 -61.2 -35.33 76.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.762 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.64 -45.79 90.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 110.915 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.28 -39.38 28.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 14.7 pt-20 -64.28 -30.12 71.18 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.815 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 1.6 tp10 -58.71 -49.98 75.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.648 0.737 . . . . 0.0 109.07 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.61 81.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.287 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 24' ' ' LEU . 61.7 tp -59.39 -48.37 81.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.11 -39.4 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.836 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.69 68.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.85 0.357 . . . . 0.0 111.221 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.06 -18.72 63.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.792 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.5 72.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 0.0 110.464 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.92 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -71.9 -32.12 67.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.949 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.85 -50.64 0.47 Allowed Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.708 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 t-20 179.27 146.7 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 62.8 tp -69.23 -50.97 42.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.47 40.94 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.404 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.05 129.07 1.5 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.248 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.5 pt? -164.29 144.0 6.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 5.5 Cg_exo . . . . . 0 C--O 1.247 0.957 0 C-N-CA 123.081 2.521 . . . . 0.0 111.907 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.58 69.92 10.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -60.46 134.11 56.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.73 -177.626 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.1 m -156.24 -39.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.62 133.34 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.069 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 20.3 pttp -152.69 133.52 7.86 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 33.1 Cg_endo -97.42 -150.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.452 2.768 . . . . 0.0 112.219 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.76 81.91 7.63 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.701 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 91.1 m-70 -55.88 -36.28 67.45 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.37 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.39 -39.23 46.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.902 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.38 -44.31 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.9 pt-20 -68.38 -32.21 72.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 61.2 mm-40 -57.91 -41.43 82.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.56 87.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.917 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 95.7 mt -63.55 -46.55 85.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.83 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 28' ' ' PRO . 63.2 t -59.88 -40.87 84.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.64 80.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.459 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -76.2 -45.31 33.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.087 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.44 71.57 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HD2' HD22 ' A' ' 24' ' ' LEU . 23.7 tptm -59.23 -26.63 65.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.886 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -90.84 34.83 0.9 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.06 -126.81 1.14 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.616 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -77.67 63.57 2.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.0 111.459 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD22 ' HD2' ' A' ' 20' ' ' LYS . 3.4 pp -65.74 146.65 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.03 -149.67 5.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.213 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.18 -43.63 10.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.576 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.23 134.59 29.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 78.7 Cg_endo . . . . . 0 C--O 1.252 1.205 0 C-N-CA 122.819 2.346 . . . . 0.0 112.26 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.369 0.128 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.3 mt -151.65 44.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.219 0.533 . . . . 0.0 110.202 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -79.77 126.53 31.07 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.583 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -73.3 -18.97 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 58.47 53.33 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.334 0.588 . . . . 0.0 110.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . 18.3 mmtp 73.05 135.45 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.589 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -47.67 103.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.567 2.845 . . . . 0.0 114.451 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.674 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 28.4 t30 49.97 30.94 4.34 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.428 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 70.0 t60 -59.1 -39.98 83.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.729 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 10' ' ' LEU . 2.0 pt? -56.63 -42.33 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.217 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' HB2' ' ND2' ' A' ' 8' ' ' ASN . 56.4 mt -81.08 -38.3 27.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.628 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 4.3 mm-40 -57.79 -38.42 75.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.609 0.242 . . . . 0.0 110.908 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.38 79.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.287 0.565 . . . . 0.0 109.562 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.52 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.767 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.44 -49.99 75.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.3 -33.83 66.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.505 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -44.73 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.349 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.3 91.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -78.76 46.23 0.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HG3' ' HB2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -175.86 16.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.72 31.84 68.39 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.712 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.465 ' HB2' ' HG3' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -106.54 52.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.5 0.667 . . . . 0.0 109.846 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.42 53.75 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.81 132.71 34.5 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.371 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.81 -47.76 0.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.683 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 3.2 mm? -106.16 -54.92 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.683 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 88.8 Cg_endo . . . . . 0 C--O 1.255 1.349 0 C-N-CA 122.32 2.013 . . . . 0.0 111.631 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.53 134.06 48.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 45.02 55.28 6.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 124.032 0.832 . . . . 0.0 111.439 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 m -62.02 -40.57 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.338 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.423 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 11.5 mm100 -64.5 137.2 57.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -126.89 67.17 68.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HD3' ' C ' ' A' ' 5' ' ' GLN . 5.9 Cg_exo -78.7 45.08 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.941 2.428 . . . . 0.0 112.19 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 57.99 70.55 0.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.802 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.843 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 57.9 t60 -53.48 -37.0 62.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.752 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 6.9 mp -56.81 -38.71 72.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.275 0.559 . . . . 0.0 110.363 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.13 -42.09 57.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.066 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.4 pt-20 -68.27 -41.49 80.97 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 14.9 pt-20 -64.47 -38.92 92.72 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -35.86 80.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.83 -48.43 81.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.088 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.37 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.318 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.52 87.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.422 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 25.7 t80 -78.52 -39.05 39.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.263 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.22 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.306 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 20' ' ' LYS . 9.8 tppt? -76.64 32.66 0.13 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.945 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 2.4 ptpt -169.53 35.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.41 0.624 . . . . 0.0 110.064 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.49 178.46 47.82 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -72.63 -31.04 64.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -163.52 137.23 5.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.834 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.26 -35.64 88.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.383 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.61 -43.48 0.11 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -152.42 146.31 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 3.1 Cg_exo . . . . . 0 C--O 1.246 0.914 0 C-N-CA 123.011 2.474 . . . . 0.0 112.029 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.768 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 8.7 p-80 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.815 0.34 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.43 -40.95 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -80.44 -39.71 27.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.768 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.959 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.13 -41.36 92.5 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.58 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.29 -47.31 77.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.804 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 60.8 t -64.5 -36.63 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.323 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -55.16 -35.55 64.88 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.61 -40.03 43.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.482 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.22 24.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.471 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 40.1 pttt . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 109.597 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.786 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 27.8 p80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 120.434 0.159 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -57.25 -34.35 68.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.936 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.05 -46.41 29.37 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.299 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.786 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 9.4 pt-20 -70.35 -41.92 72.52 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 61.3 mt-10 -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.21 0.529 . . . . 0.0 109.62 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.25 82.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.715 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.004 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.45 -39.84 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.433 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.36 83.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.14 0.495 . . . . 0.0 110.322 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.85 -44.74 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.133 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.23 82.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.51 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 tptm . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.308 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 11.2 t-80 . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.17 -38.58 91.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.7 mm? -71.82 -40.61 69.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.619 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 7.5 pt-20 -65.59 -34.0 77.21 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.637 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -43.38 98.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.91 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.778 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.09 -48.15 81.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.629 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 20' ' ' LYS . 53.2 t -68.84 -35.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.146 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . . . -56.37 -36.95 69.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.056 0.455 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -68.3 -44.28 75.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.99 85.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.537 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' ' HA ' ' A' ' 17' ' ' ALA . 86.8 mttt . . . . . 0 N--CA 1.466 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.5 t60 . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.2 pt? -53.67 -39.37 65.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.102 0.477 . . . . 0.0 111.22 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.61 -42.49 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 18.8 pt-20 -63.1 -34.34 77.39 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.434 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -60.1 -46.23 90.3 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.45 81.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.917 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.16 -48.27 82.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.026 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' GLU . 86.8 t -63.91 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.112 0.482 . . . . 0.0 110.354 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -70.22 -42.27 72.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.4 79.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.215 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.34 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.737 ' HA ' ' CG ' ' A' ' 12' ' ' GLU . 1.7 p80 . . . . . 0 C--O 1.223 -0.332 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.85 -35.93 79.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.86 -48.48 37.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.112 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.737 ' CG ' ' HA ' ' A' ' 9' ' ' HIS . 10.7 pt-20 -66.73 -37.32 84.42 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.04 85.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.33 85.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.069 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.43 -52.34 65.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.709 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.64 -40.5 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.828 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.14 -41.57 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -79.57 -41.25 27.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.983 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.04 -40.73 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.915 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 tttm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.892 -179.152 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 32.9 t-80 . . . . . 0 C--O 1.224 -0.242 0 CA-C-O 121.044 0.449 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.33 -54.67 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.438 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.73 -38.35 83.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.429 0.633 . . . . 0.0 109.366 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 36.4 mt-10 -65.41 -30.07 70.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.99 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 13.8 tp10 -58.26 -45.67 87.39 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.18 86.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.767 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.42 -48.29 82.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.073 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLU . 99.6 t -65.98 -35.93 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.189 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.69 95.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -74.69 -40.71 61.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.118 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.5 82.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.74 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.014 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 87.1 m-70 . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.2 -38.11 89.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.51 . . . . 0.0 109.817 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.06 -32.71 61.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.754 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 11.8 pt-20 -63.22 -35.96 82.06 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.424 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.47 -37.73 84.68 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.39 -46.9 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.705 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLU . 59.1 t -65.07 -37.11 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.44 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -58.03 -40.21 80.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.158 0.504 . . . . 0.0 110.307 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.25 -43.91 63.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.819 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.56 99.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 16.7 ptpt . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.806 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.4 t-80 . . . . . 0 C--O 1.223 -0.332 0 N-CA-C 110.703 -0.11 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.18 -34.62 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 tp -75.52 -45.71 36.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.806 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 17.2 pt-20 -68.46 -39.68 81.33 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 6.8 pt-20 -62.54 -39.27 93.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.641 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.36 75.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.23 -46.33 90.14 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.651 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' GLU . 61.4 t -61.72 -40.74 87.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.23 -34.53 73.79 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.387 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.63 -44.45 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.508 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.26 69.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.677 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.995 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.748 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 74.5 t60 . . . . . 0 C--O 1.224 -0.273 0 CA-C-O 120.457 0.17 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.27 -37.41 83.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 109.706 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -77.39 -45.31 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.247 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.82 -38.52 89.15 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.66 -47.33 86.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.58 78.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.048 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.65 -51.25 70.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.687 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -67.75 -42.13 85.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -45.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.411 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.73 -39.27 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.86 67.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.828 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.026 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.552 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 34.2 m170 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.46 -36.03 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.264 0.554 . . . . 0.0 110.143 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -74.4 -47.29 34.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.117 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.552 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.0 pt-20 -67.42 -39.08 85.48 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.67 -43.61 89.95 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.83 72.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.83 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.82 -47.08 87.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.01 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLU . 93.1 t -60.92 -37.38 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -63.43 -43.0 98.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.389 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.29 -38.53 65.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.876 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.31 -43.61 71.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 0.0 111.657 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 57.9 pttt . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.974 0.416 . . . . 0.0 110.968 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.746 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 8.9 p80 . . . . . 0 C--O 1.219 -0.534 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 10' ' ' LEU . 6.6 mp -56.62 -35.98 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 109.694 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 tp -71.45 -42.98 67.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.919 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.0 pt-20 -67.51 -33.7 75.62 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.382 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.746 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 58.3 mm-40 -56.67 -49.44 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.36 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.01 -52.65 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.0 -40.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.22 80.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -66.03 -42.32 89.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.266 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.47 87.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.461 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.107 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 59.7 t-80 . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.494 HD22 ' H ' ' A' ' 10' ' ' LEU . 3.2 mm? -56.01 -35.3 66.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.111 0.482 . . . . 0.0 110.998 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.85 -39.65 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.633 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.3 pt-20 -63.17 -32.6 74.04 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.97 -49.16 77.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.146 0.498 . . . . 0.0 109.7 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.65 82.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.092 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.02 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.13 -40.15 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.24 88.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -68.23 -39.45 82.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.28 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.07 96.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 111.123 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.18 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 59.1 t-80 . . . . . 0 C--O 1.223 -0.31 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 10' ' ' LEU . 7.0 mp -57.8 -31.03 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -79.13 -45.94 18.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.412 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.7 pt-20 -66.43 -40.85 89.76 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.05 -40.88 97.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.59 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.4 tm? -59.91 -49.96 75.63 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 93.2 t -63.85 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.58 96.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.409 . . . . 0.0 110.327 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.62 -39.67 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.234 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.4 88.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 80.4 mttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 23.0 t60 . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.34 -43.1 74.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.462 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.714 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 44.3 mt-10 -64.69 -40.67 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -45.34 82.93 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.93 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.706 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 62.8 tp -58.07 -51.65 68.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.572 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.65 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.072 0.463 . . . . 0.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.593 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -59.43 -38.51 80.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.872 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.73 -39.47 26.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.223 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.99 75.86 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.504 0.503 . . . . 0.0 111.924 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 20.9 pttp . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 0.0 111.569 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 70.5 t60 . . . . . 0 C--O 1.222 -0.365 0 CA-C-O 120.3 0.095 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.55 -45.31 85.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.834 0.349 . . . . 0.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.27 -45.24 18.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.821 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 19.9 pt-20 -61.79 -35.24 77.59 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.2 -48.59 81.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.93 84.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.002 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.26 -50.95 71.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 98.5 t -67.65 -41.09 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.14 83.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -69.4 -41.6 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -49.22 77.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.746 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 7.1 ptmm? . . . . . 0 C--O 1.238 0.47 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.917 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 56.0 t-80 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 7.1 mp -55.16 -34.33 63.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.128 0.49 . . . . 0.0 110.502 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.67 -41.08 24.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.917 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 23.1 pt-20 -67.05 -39.82 86.99 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 11.0 pt-20 -64.2 -42.12 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.0 -34.2 71.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.897 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -56.68 -51.17 69.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.17 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.83 93.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.458 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.97 -40.35 68.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.654 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.86 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.519 0.512 . . . . 0.0 111.268 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 179.647 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.708 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 31.3 t60 . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.64 -45.79 90.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 110.915 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.28 -39.38 28.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 14.7 pt-20 -64.28 -30.12 71.18 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.815 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 1.6 tp10 -58.71 -49.98 75.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.648 0.737 . . . . 0.0 109.07 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.61 81.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.287 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.39 -48.37 81.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.11 -39.4 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.836 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.69 68.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.85 0.357 . . . . 0.0 111.221 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.06 -18.72 63.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.792 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.5 72.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 0.0 110.464 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.92 178.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.701 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 91.1 m-70 . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.39 -39.23 46.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.902 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.38 -44.31 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.9 pt-20 -68.38 -32.21 72.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 61.2 mm-40 -57.91 -41.43 82.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.56 87.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.917 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -46.55 85.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.88 -40.87 84.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.64 80.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.459 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -76.2 -45.31 33.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.087 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.44 71.57 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.886 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 70.0 t60 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.0 pt? -56.63 -42.33 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.217 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 56.4 mt -81.08 -38.3 27.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.628 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -38.42 75.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.609 0.242 . . . . 0.0 110.908 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.38 79.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.287 0.565 . . . . 0.0 109.562 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.52 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.767 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.44 -49.99 75.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.3 -33.83 66.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.505 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -44.73 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.349 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.3 91.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.843 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 57.9 t60 . . . . . 0 C--O 1.224 -0.28 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 6.9 mp -56.81 -38.71 72.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.275 0.559 . . . . 0.0 110.363 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.13 -42.09 57.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.066 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.4 pt-20 -68.27 -41.49 80.97 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 14.9 pt-20 -64.47 -38.92 92.72 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -35.86 80.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.83 -48.43 81.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.088 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.37 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.318 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.52 87.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.422 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -78.52 -39.05 39.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.263 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.22 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.306 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 20' ' ' LYS . 9.8 tppt? . . . . . 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.945 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -151.6 52.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.764 0.792 . . . . 0.0 109.02 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.27 50.0 0.61 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.804 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -70.76 -24.27 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.254 0.55 . . . . 0.0 109.541 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -141.67 120.73 12.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.552 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HD2' ' HD2' ' A' ' 7' ' ' PRO . 24.8 tptp 67.0 105.05 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 124.018 0.824 . . . . 0.0 110.797 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HD2' ' HD2' ' A' ' 6' ' ' LYS . 31.1 Cg_endo -64.6 138.82 60.97 Favored 'Trans proline' 0 C--O 1.237 0.475 0 C-N-CA 123.047 2.498 . . . . 0.0 113.333 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.7 t30 59.52 36.77 22.98 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.609 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.768 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 8.7 p-80 -81.02 -22.66 39.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.606 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -63.43 -40.95 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 0.0 110.473 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -80.44 -39.71 27.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.768 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.72 -37.69 87.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.959 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.13 -41.36 92.5 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.58 89.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.29 -47.31 77.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.804 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 60.8 t -64.5 -36.63 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.323 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -55.16 -35.55 64.88 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.61 -40.03 43.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.482 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.034 ' HA ' ' HB2' ' A' ' 23' ' ' ASN . . . -59.7 -56.22 24.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.471 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 40.1 pttt -75.2 55.06 0.73 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 109.597 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -168.18 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.32 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.63 61.39 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.057 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 1.034 ' HB2' ' HA ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -72.77 64.57 0.67 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 111.174 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt 56.79 40.97 28.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.1 39.74 62.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 23' ' ' ASN . . . -152.87 151.78 23.54 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.691 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 7.9 mp 57.8 58.31 7.05 Favored Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.872 0.469 . . . . 0.0 111.876 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 27' ' ' LEU . 6.0 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.705 2.27 . . . . 0.0 111.827 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.0 tp 61.2 57.66 2.4 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.817 0.698 . . . . 0.0 110.081 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 57.73 -155.99 0.32 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.217 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.589 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 5.2 m 53.51 53.41 11.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.515 0.674 . . . . 0.0 109.696 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.39 121.67 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.73 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -92.66 140.2 23.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.74 -48.39 17.03 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.283 1.988 . . . . 0.0 111.314 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -97.79 39.18 1.23 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.786 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 27.8 p80 -62.92 -32.25 73.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -57.25 -34.35 68.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.936 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.05 -46.41 29.37 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.299 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.786 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 9.4 pt-20 -70.35 -41.92 72.52 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' CD ' ' HD1' ' A' ' 9' ' ' HIS . 61.3 mt-10 -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.21 0.529 . . . . 0.0 109.62 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.25 82.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.715 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.004 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.45 -39.84 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.433 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.36 83.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.14 0.495 . . . . 0.0 110.322 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.85 -44.74 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.133 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.23 82.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.51 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.308 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 8.9 ptpp? -76.84 -30.53 56.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.23 96.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.715 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -79.37 67.03 5.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.219 . . . . 0.0 110.57 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp 75.44 -38.02 0.35 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.832 0.853 . . . . 0.0 111.68 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.615 ' HA2' ' HA ' ' A' ' 21' ' ' LYS . . . 93.06 55.6 1.59 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.3 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -148.03 -172.29 17.86 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 3.9 mm? 71.11 141.21 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 123.372 0.669 . . . . 0.0 111.415 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--O 1.245 0.849 0 C-N-CA 122.818 2.345 . . . . 0.0 111.693 179.707 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.0 tp 65.82 49.18 1.73 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.814 0.697 . . . . 0.0 109.585 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -63.37 103.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.036 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 t -172.81 32.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.014 0.912 . . . . 0.0 109.381 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -80.61 61.82 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.067 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HG2' ' OE2' ' A' ' 12' ' ' GLU . 5.7 tppp? -64.84 120.89 70.22 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.23 132.09 25.08 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 111.748 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.01 39.98 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.816 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 11.2 t-80 -61.7 -32.74 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.863 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.17 -38.58 91.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.7 mm? -71.82 -40.61 69.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.619 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.641 ' OE2' ' HG2' ' A' ' 6' ' ' LYS . 7.5 pt-20 -65.59 -34.0 77.21 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.637 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -43.38 98.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.91 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.778 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.09 -48.15 81.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.629 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 20' ' ' LYS . 53.2 t -68.84 -35.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.146 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . . . -56.37 -36.95 69.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.056 0.455 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -68.3 -44.28 75.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HA ' ' O ' ' A' ' 22' ' ' GLY . . . -63.35 -36.99 85.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.537 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' ' HA ' ' A' ' 17' ' ' ALA . 86.8 mttt -54.01 -30.48 47.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -122.44 32.84 5.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 19' ' ' ALA . . . 150.58 111.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.1 48.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 24' ' ' LEU . 3.5 mm? -94.68 90.82 6.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.011 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 -45.87 3.14 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.053 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.05 123.96 15.89 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.889 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD11 HG22 ' A' ' 16' ' ' VAL . 10.8 mp 66.94 88.4 0.11 Allowed Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 123.15 0.58 . . . . 0.0 111.33 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo . . . . . 0 C--O 1.252 1.225 0 C-N-CA 123.034 2.489 . . . . 0.0 112.145 179.628 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 99.2 mt 65.85 43.07 3.21 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.88 0.738 . . . . 0.0 110.477 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.09 135.95 57.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.877 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 p 50.88 49.08 21.82 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.252 0.621 . . . . 0.0 111.824 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -69.37 137.67 53.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.583 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -72.85 124.53 90.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.522 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' HB2' ' H ' ' A' ' 8' ' ' ASN . 88.1 Cg_endo -82.43 -143.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.527 2.151 . . . . 0.0 112.373 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 11' ' ' LEU . 53.5 t30 -78.4 42.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.717 0.77 . . . . 0.0 110.3 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.5 t60 -65.56 -44.77 85.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.629 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.2 pt? -53.67 -39.37 65.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.102 0.477 . . . . 0.0 111.22 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 2.5 tm? -80.61 -42.49 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 18.8 pt-20 -63.1 -34.34 77.39 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.434 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -60.1 -46.23 90.3 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.45 81.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.917 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.16 -48.27 82.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.026 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' GLU . 86.8 t -63.91 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.419 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.56 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.112 0.482 . . . . 0.0 110.354 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -70.22 -42.27 72.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.893 ' HA ' ' HB3' ' A' ' 23' ' ' ASN . . . -60.12 -37.4 79.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.215 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -57.66 -29.86 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.34 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -76.79 37.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.792 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.16 28.29 72.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.542 -0.361 . . . . 0.0 113.02 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.893 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 48.7 t30 -76.4 -35.92 58.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 pp -157.58 151.52 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.352 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.34 -53.49 3.89 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.76 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.91 30.21 68.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.253 -0.498 . . . . 0.0 112.508 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.2 tp -169.09 -57.15 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 122.294 0.238 . . . . 0.0 110.514 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HD2' ' H ' ' A' ' 27' ' ' LEU . 35.7 Cg_endo . . . . . 0 C--O 1.252 1.195 0 C-N-CA 121.968 1.779 . . . . 0.0 111.32 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' H3 ' ' CD ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.745 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -160.62 45.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.534 0.683 . . . . 0.0 109.723 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.433 ' H ' ' HB2' ' A' ' 6' ' ' LYS . 8.8 mp0 -94.91 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 m -69.34 -49.68 53.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.163 0.506 . . . . 0.0 110.453 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.423 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 1.5 pm0 -92.81 35.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.755 0.788 . . . . 0.0 110.442 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' HD3' ' HA ' ' A' ' 2' ' ' LEU . 3.7 ttpp -69.3 124.38 90.33 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.419 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 16.2 Cg_endo -90.63 -132.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.491 2.794 . . . . 0.0 110.484 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 30.1 t-20 -88.49 109.54 20.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.737 ' HA ' ' CG ' ' A' ' 12' ' ' GLU . 1.7 p80 -63.04 -31.88 73.11 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.85 -35.93 79.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.86 -48.48 37.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.112 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.737 ' CG ' ' HA ' ' A' ' 9' ' ' HIS . 10.7 pt-20 -66.73 -37.32 84.42 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.04 85.76 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.33 85.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.069 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.43 -52.34 65.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.709 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.64 -40.5 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.828 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 21' ' ' LYS . . . -57.14 -41.57 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -79.57 -41.25 27.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.983 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.04 -40.73 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.915 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -72.17 -14.11 61.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.892 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 47.6 mmtm -71.58 -43.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.93 121.21 0.55 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.613 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -173.51 -65.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.922 0.392 . . . . 0.0 110.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.6 -48.18 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.232 0.539 . . . . 0.0 110.461 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.15 -141.75 7.68 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 42.53 40.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.718 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.6 pt? -155.37 143.43 14.32 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 5.8 Cg_exo . . . . . 0 C--O 1.248 1.023 0 C-N-CA 123.027 2.484 . . . . 0.0 111.877 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 tp 71.07 139.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.24 0.962 . . . . 0.0 110.56 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.75 126.32 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.4 m -69.49 -40.29 77.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.416 0.627 . . . . 0.0 109.758 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -87.76 129.03 35.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.287 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 68.5 mmtt -132.93 124.7 18.78 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 6.8 Cg_exo -73.87 60.16 4.44 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.27 2.646 . . . . 0.0 111.803 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 t30 65.73 23.76 11.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 122.584 1.183 . . . . 0.0 109.395 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 32.9 t-80 -81.16 32.44 0.33 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.094 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.33 -54.67 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.438 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.73 -38.35 83.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.429 0.633 . . . . 0.0 109.366 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 36.4 mt-10 -65.41 -30.07 70.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.99 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 13.8 tp10 -58.26 -45.67 87.39 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.18 86.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.767 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.42 -48.29 82.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.073 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLU . 99.6 t -65.98 -35.93 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.189 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.69 95.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -74.69 -40.71 61.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.118 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.5 82.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.74 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -77.85 13.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -139.56 22.4 2.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.875 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.76 147.27 22.78 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.185 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.79 -33.16 70.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 24' ' ' LEU . 1.7 tm? -151.98 129.61 11.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.84 -132.68 2.26 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.8 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.21 42.77 34.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.263 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD12 ' HD2' ' A' ' 28' ' ' PRO . 36.5 tp -154.77 127.7 4.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HD2' HD12 ' A' ' 27' ' ' LEU . 97.5 Cg_endo . . . . . 0 C--O 1.248 1.012 0 C-N-CA 122.81 2.34 . . . . 0.0 112.222 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.504 0.192 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.0 tp 62.15 54.92 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.291 0.567 . . . . 0.0 110.855 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -74.06 48.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.071 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m -72.64 -44.08 62.37 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.384 0.612 . . . . 0.0 110.068 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 3.4 pm0 -74.37 132.72 42.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.633 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -81.53 116.26 61.88 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.465 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -85.72 48.18 2.08 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.632 2.888 . . . . 0.0 112.149 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 58.07 76.03 0.35 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.091 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 87.1 m-70 -57.77 -20.29 34.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.103 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.2 -38.11 89.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.51 . . . . 0.0 109.817 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.06 -32.71 61.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.754 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 11.8 pt-20 -63.22 -35.96 82.06 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.424 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.47 -37.73 84.68 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.39 -46.9 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.705 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLU . 59.1 t -65.07 -37.11 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.44 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -58.03 -40.21 80.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.158 0.504 . . . . 0.0 110.307 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.25 -43.91 63.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.819 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.56 99.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 16.7 ptpt -64.75 -25.01 67.75 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 3.2 tmmm? -83.07 -38.76 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.335 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.96 143.22 5.47 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -61.83 128.86 38.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.51 -40.43 85.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.06 -52.23 0.17 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.76 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.21 -47.16 0.22 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.768 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.69 135.53 64.13 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.118 . . . . 0.0 110.715 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo . . . . . 0 C--O 1.253 1.244 0 C-N-CA 122.86 2.373 . . . . 0.0 112.113 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.596 0.236 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.1 tp -168.93 41.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.833 0.825 . . . . 0.0 109.177 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -73.96 141.58 45.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.472 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 t -63.7 -32.61 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -82.06 48.84 1.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 52.4 mtpt 67.78 102.58 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.264 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.25 64.41 2.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.361 2.707 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.93 26.94 10.94 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 122.035 0.921 . . . . 0.0 108.83 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.806 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.4 t-80 -61.65 -27.95 69.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.703 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.18 -34.62 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 tp -75.52 -45.71 36.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.014 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.806 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 17.2 pt-20 -68.46 -39.68 81.33 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 6.8 pt-20 -62.54 -39.27 93.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.641 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.36 75.05 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.23 -46.33 90.14 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.651 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' GLU . 61.4 t -61.72 -40.74 87.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.23 -34.53 73.79 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.387 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 28.9 t80 -80.63 -44.45 18.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.508 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.26 69.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.677 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -62.6 -26.99 68.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 18' ' ' PHE . 33.0 mttm -75.82 -35.17 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.077 0.465 . . . . 0.0 110.368 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.96 119.58 0.89 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.71 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -74.62 -16.99 60.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 29.6 tp 72.66 -52.09 0.7 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.508 0.723 . . . . 0.0 111.163 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.13 -137.43 19.86 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.05 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.94 56.3 4.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.392 -0.432 . . . . 0.0 113.152 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 94.8 mt -130.62 137.15 30.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.764 2.309 . . . . 0.0 112.231 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.3 tp 68.86 122.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.185 0.928 . . . . 0.0 111.055 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 43.94 37.64 1.82 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.636 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -89.11 53.28 2.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.439 0.638 . . . . 0.0 110.08 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -63.45 148.16 49.35 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.915 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.564 ' CB ' ' HB2' ' A' ' 9' ' ' HIS . 36.3 mmtm -147.56 136.87 11.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.208 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.33 -43.3 41.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.999 2.466 . . . . 0.0 113.543 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 11.7 p-10 -147.54 46.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.748 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 74.5 t60 -60.54 -36.25 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.864 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.27 -37.41 83.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 109.706 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 8' ' ' ASN . 58.4 tp -77.39 -45.31 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.247 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 22.7 pt-20 -65.82 -38.52 89.15 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.66 -47.33 86.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.58 78.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.048 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.65 -51.25 70.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.687 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -67.75 -42.13 85.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -59.05 -45.78 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.411 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.73 -39.27 84.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.86 67.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.828 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HZ1' ' C ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -70.03 -29.2 66.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.026 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.49 -42.82 67.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.483 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.11 25.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.316 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -158.8 48.63 0.34 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 27' ' ' LEU . 92.3 mt -86.08 45.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.38 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.27 -44.97 2.24 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.656 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.533 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -153.08 -125.98 1.12 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.606 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 45.16 66.66 4.97 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.711 0.804 . . . . 0.0 112.162 -179.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.454 ' C ' ' HZ1' ' A' ' 20' ' ' LYS . 36.2 Cg_exo . . . . . 0 C--O 1.248 1.011 0 C-N-CA 123.033 2.489 . . . . 0.0 112.45 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt 57.6 53.51 7.22 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.05 127.5 29.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.863 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 6' ' ' LYS . 9.0 t -177.57 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 59.02 41.77 20.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.787 0.803 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' H ' HG23 ' A' ' 4' ' ' THR . 68.7 mttm -146.64 57.52 3.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 31.5 Cg_exo -58.56 -44.54 36.38 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.029 1.819 . . . . 0.0 111.099 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -153.94 29.13 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.529 1.156 . . . . 0.0 107.917 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.552 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 34.2 m170 -75.06 -27.22 59.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.66 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.46 -36.03 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.264 0.554 . . . . 0.0 110.143 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -74.4 -47.29 34.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.117 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.552 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.0 pt-20 -67.42 -39.08 85.48 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.67 -43.61 89.95 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.83 72.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.83 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.82 -47.08 87.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.01 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' GLU . 93.1 t -60.92 -37.38 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 20' ' ' LYS . . . -63.43 -43.0 98.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.389 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.29 -38.53 65.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.876 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.31 -43.61 71.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 0.0 111.657 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 17' ' ' ALA . 57.9 pttt -83.93 34.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.974 0.416 . . . . 0.0 110.968 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -151.98 -51.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.628 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.09 137.53 13.34 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.098 -0.573 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.93 -40.25 94.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.5 tp -169.5 -51.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 45.75 46.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.707 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.96 -107.93 3.2 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.221 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 tp 61.37 66.33 1.63 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.938 0.434 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 179.66 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.78 -175.33 2.71 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 4' ' ' THR . 3.4 mm-40 -63.02 154.4 30.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 3' ' ' GLU . 27.5 m 82.17 -47.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.454 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 48.5 tt0 -86.26 42.58 1.0 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 9' ' ' HIS . 4.2 tptm -88.67 134.29 34.28 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.322 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.03 70.04 1.75 Allowed 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.093 2.529 . . . . 0.0 112.222 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 68.44 66.25 0.32 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.103 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.746 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 8.9 p80 -60.73 -16.04 35.66 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 10' ' ' LEU . 6.6 mp -56.62 -35.98 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 109.694 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 tp -71.45 -42.98 67.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.919 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.0 pt-20 -67.51 -33.7 75.62 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.382 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.746 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 58.3 mm-40 -56.67 -49.44 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.36 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.01 -52.65 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.961 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.0 -40.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.22 80.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.769 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 3.3 m-30 -66.03 -42.32 89.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.266 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.47 87.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.461 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 1.6 tmtp? -58.36 -57.93 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.107 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 177.95 37.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 0.0 109.958 178.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.769 ' HA2' ' HA ' ' A' ' 18' ' ' PHE . . . 65.87 47.22 77.0 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.036 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 65.42 -144.63 0.21 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.991 0.516 . . . . 0.0 109.679 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -94.9 57.96 2.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.656 0.265 . . . . 0.0 111.053 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.44 -42.47 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.069 -1.062 . . . . 0.0 113.067 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA2' ' HA3' ' A' ' 22' ' ' GLY . . . 86.15 33.31 14.97 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.091 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 94.3 mt 60.44 62.66 3.12 Favored Pre-proline 0 N--CA 1.467 0.413 0 C-N-CA 122.958 0.503 . . . . 0.0 112.152 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 27' ' ' LEU . 5.2 Cg_endo . . . . . 0 C--O 1.253 1.255 0 C-N-CA 122.939 2.426 . . . . 0.0 111.947 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.84 142.7 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.87 129.16 37.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -141.94 50.91 1.52 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.324 0.583 . . . . 0.0 109.904 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 60.44 48.47 7.7 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -74.75 130.95 80.33 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.257 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 7.7 Cg_exo -73.68 -21.06 19.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.936 2.424 . . . . 0.0 112.02 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.581 HD22 ' HG ' ' A' ' 11' ' ' LEU . 36.4 t30 64.52 70.64 0.48 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.463 -0.789 . . . . 0.0 108.957 -178.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 59.7 t-80 -48.18 -30.74 4.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.009 -1.45 . . . . 0.0 112.574 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.494 HD22 ' H ' ' A' ' 10' ' ' LEU . 3.2 mm? -56.01 -35.3 66.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.111 0.482 . . . . 0.0 110.998 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' A' ' 8' ' ' ASN . 39.1 mt -79.85 -39.65 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.633 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 9.3 pt-20 -63.17 -32.6 74.04 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.97 -49.16 77.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.146 0.498 . . . . 0.0 109.7 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.65 82.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.092 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.02 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.13 -40.15 86.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.24 88.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -68.23 -39.45 82.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.28 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.615 ' HA ' HD11 ' A' ' 27' ' ' LEU . . . -60.25 -43.07 96.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 111.123 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -71.94 -37.96 69.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.78 -48.77 44.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.626 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.08 32.79 3.45 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.452 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.06 -54.52 10.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.219 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.66 -32.28 62.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.76 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.99 124.44 1.17 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.87 -46.34 0.59 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.753 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 88.9 mt -80.44 -55.29 0.76 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.753 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 90.1 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.417 2.078 . . . . 0.0 111.903 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.961 0.41 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -169.24 42.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.05 60.04 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -79.6 56.94 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.185 0.517 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -62.75 131.96 50.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.653 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 44.2 mtmt -145.81 59.2 5.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 13.7 Cg_exo -69.22 -63.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.249 1.966 . . . . 0.0 112.196 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -109.64 36.14 3.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.319 0.58 . . . . 0.0 109.819 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 59.1 t-80 -65.63 -35.25 80.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.478 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 10' ' ' LEU . 7.0 mp -57.8 -31.03 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -79.13 -45.94 18.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.412 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.7 pt-20 -66.43 -40.85 89.76 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.05 -40.88 97.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -36.59 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.4 tm? -59.91 -49.96 75.63 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 93.2 t -63.85 -40.93 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.58 96.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.409 . . . . 0.0 110.327 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -68.62 -39.67 80.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.234 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.4 88.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HD3' ' A' ' 28' ' ' PRO . 80.4 mttt -59.65 -35.71 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -67.71 -34.69 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.477 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.66 40.44 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.906 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' ' HG ' ' A' ' 24' ' ' LEU . 8.4 t-20 -78.53 -117.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.484 0.314 . . . . 0.0 110.272 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HG ' ' OD1' ' A' ' 23' ' ' ASN . 3.5 pp -166.45 150.43 7.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.964 0.412 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.49 -106.94 2.03 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.489 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.53 39.38 0.7 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.742 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.546 HD12 ' HD2' ' A' ' 28' ' ' PRO . 21.5 tp -131.47 137.57 30.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HD3' ' HE2' ' A' ' 20' ' ' LYS . 46.6 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.348 2.032 . . . . 0.0 112.115 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.949 0.404 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -166.16 38.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' HG3' ' HA ' ' A' ' 7' ' ' PRO . 7.2 mp0 -80.13 45.48 0.74 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.21 -177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -67.96 -34.75 77.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.542 0.687 . . . . 0.0 109.832 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 15.5 pt20 -137.71 56.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.73 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 34.9 mmtp 82.1 152.71 0.12 Allowed Pre-proline 0 N--CA 1.469 0.517 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.545 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HA ' ' HG3' ' A' ' 3' ' ' GLU . 27.1 Cg_exo -62.36 133.15 41.74 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.348 2.032 . . . . 0.0 111.879 -179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -76.95 60.37 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.385 0.612 . . . . 0.0 109.576 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 23.0 t60 -58.95 -28.08 65.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.945 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.34 -43.1 74.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.462 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.714 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 9' ' ' HIS . 44.3 mt-10 -64.69 -40.67 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -45.34 82.93 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.93 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.706 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 62.8 tp -58.07 -51.65 68.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.572 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.65 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.072 0.463 . . . . 0.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.593 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . . . -59.43 -38.51 80.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.872 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.874 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 3.1 m-85 -80.73 -39.47 26.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.223 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 21' ' ' LYS . . . -56.04 -41.99 75.86 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.504 0.503 . . . . 0.0 111.924 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 17' ' ' ALA . 20.9 pttp -76.93 37.43 0.18 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 0.0 111.569 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.874 ' HE2' ' HA ' ' A' ' 18' ' ' PHE . 48.2 mtmt -147.94 17.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.72 -118.81 0.8 Allowed Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.35 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -73.37 127.86 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.108 0.48 . . . . 0.0 110.309 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.87 137.31 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.88 136.11 4.1 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.24 59.61 3.3 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.218 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.845 ' HG ' ' HD3' ' A' ' 28' ' ' PRO . 1.4 pt? -140.17 -41.37 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.626 0 CA-C-O 118.943 -0.551 . . . . 0.0 112.284 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.845 ' HD3' ' HG ' ' A' ' 27' ' ' LEU . 83.9 Cg_endo . . . . . 0 C--O 1.253 1.256 0 C-N-CA 121.675 1.583 . . . . 0.0 111.961 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.88 135.49 2.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 39.73 40.71 0.7 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.227 0.954 . . . . 0.0 112.065 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -87.68 -24.32 23.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.472 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 55.22 59.0 4.23 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . 37.1 mmtm -134.19 145.11 54.16 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.75 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.64 -48.56 11.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.933 3.089 . . . . 0.0 114.975 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.436 HD21 ' HB3' ' A' ' 11' ' ' LEU . 55.7 t30 -152.3 44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 111.1 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 70.5 t60 -69.1 -29.4 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.854 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.55 -45.31 85.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.834 0.349 . . . . 0.0 110.72 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' HB3' HD21 ' A' ' 8' ' ' ASN . 2.6 tm? -80.27 -45.24 18.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.821 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 19.9 pt-20 -61.79 -35.24 77.59 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.2 -48.59 81.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.93 84.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.002 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.26 -50.95 71.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 98.5 t -67.65 -41.09 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.604 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.14 83.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -69.4 -41.6 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -49.22 77.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.746 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 7.1 ptmm? -83.46 43.48 0.9 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -44.75 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.638 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.41 121.69 0.59 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.613 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -162.68 34.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.648 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.75 -24.58 20.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.704 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' HD22 ' A' ' 24' ' ' LEU . . . 169.5 -142.96 7.63 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.25 -127.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.608 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 6.9 mp -74.11 -54.04 3.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 31.4 Cg_endo . . . . . 0 C--O 1.247 0.961 0 C-N-CA 122.543 2.162 . . . . 0.0 111.816 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt 72.33 137.19 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.187 0.929 . . . . 0.0 111.414 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 48.1 41.53 15.58 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.919 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -81.71 46.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.339 0.59 . . . . 0.0 109.729 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 51.9 mt-30 -74.09 46.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.812 -1.085 . . . . 0.0 113.146 -178.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tppm? 171.23 -52.79 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 122.759 0.424 . . . . 0.0 111.512 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 6' ' ' LYS . 50.8 Cg_exo -54.86 -44.45 49.59 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 121.893 1.729 . . . . 0.0 111.258 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.53 51.4 1.43 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.917 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 56.0 t-80 -52.01 -41.56 62.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.946 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 7.1 mp -55.16 -34.33 63.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.128 0.49 . . . . 0.0 110.502 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -80.67 -41.08 24.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.917 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 23.1 pt-20 -67.05 -39.82 86.99 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 11.0 pt-20 -64.2 -42.12 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.0 -34.2 71.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.897 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -56.68 -51.17 69.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.17 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.83 93.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.458 . . . . 0.0 110.545 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.97 -40.35 68.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.654 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.86 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.519 0.512 . . . . 0.0 111.268 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.8 -37.15 85.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 35.5 ttpt -71.49 -40.41 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.634 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.21 137.22 4.35 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -151.73 -26.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.598 0.237 . . . . 0.0 111.046 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' HB2' HD12 ' A' ' 27' ' ' LEU . 3.0 mm? -64.33 124.45 21.78 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.6 83.44 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.847 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.71 47.28 3.75 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.09 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 24' ' ' LEU . 55.7 mt -147.64 130.32 7.85 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--O 1.248 1.025 0 C-N-CA 122.854 2.369 . . . . 0.0 112.285 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.46 40.01 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.57 122.59 13.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.876 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m 70.46 5.13 5.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.472 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -99.12 128.0 45.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.897 0.379 . . . . 0.0 110.506 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 18.3 pttp -166.16 62.41 0.75 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.22 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 22.1 Cg_exo -64.4 -46.66 7.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.399 2.066 . . . . 0.0 111.783 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -151.67 36.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.082 0.944 . . . . 0.0 108.631 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.708 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 31.3 t60 -61.2 -35.33 76.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.762 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.64 -45.79 90.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 110.915 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.28 -39.38 28.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 14.7 pt-20 -64.28 -30.12 71.18 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.815 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 1.6 tp10 -58.71 -49.98 75.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.648 0.737 . . . . 0.0 109.07 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.61 81.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.287 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 24' ' ' LEU . 61.7 tp -59.39 -48.37 81.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.11 -39.4 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.836 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.69 68.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.85 0.357 . . . . 0.0 111.221 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.06 -18.72 63.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.792 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.5 72.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 0.0 110.464 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.92 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -71.9 -32.12 67.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.949 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.85 -50.64 0.47 Allowed Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.708 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 t-20 179.27 146.7 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 62.8 tp -69.23 -50.97 42.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.87 0.367 . . . . 0.0 110.592 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.47 40.94 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.404 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.05 129.07 1.5 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.248 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.5 pt? -164.29 144.0 6.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 5.5 Cg_exo . . . . . 0 C--O 1.247 0.957 0 C-N-CA 123.081 2.521 . . . . 0.0 111.907 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.58 69.92 10.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -60.46 134.11 56.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.73 -177.626 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.1 m -156.24 -39.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.62 133.34 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.069 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 20.3 pttp -152.69 133.52 7.86 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 33.1 Cg_endo -97.42 -150.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 123.452 2.768 . . . . 0.0 112.219 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.76 81.91 7.63 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.701 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 91.1 m-70 -55.88 -36.28 67.45 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.37 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.39 -39.23 46.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.902 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.38 -44.31 52.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 8.9 pt-20 -68.38 -32.21 72.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 61.2 mm-40 -57.91 -41.43 82.63 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.56 87.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.917 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 95.7 mt -63.55 -46.55 85.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.83 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 28' ' ' PRO . 63.2 t -59.88 -40.87 84.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.64 80.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.459 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -76.2 -45.31 33.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.087 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.44 71.57 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HD2' HD22 ' A' ' 24' ' ' LEU . 23.7 tptm -59.23 -26.63 65.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.886 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -90.84 34.83 0.9 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.06 -126.81 1.14 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.616 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -77.67 63.57 2.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.0 111.459 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD22 ' HD2' ' A' ' 20' ' ' LYS . 3.4 pp -65.74 146.65 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.03 -149.67 5.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.213 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.18 -43.63 10.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.576 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.23 134.59 29.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 78.7 Cg_endo . . . . . 0 C--O 1.252 1.205 0 C-N-CA 122.819 2.346 . . . . 0.0 112.26 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.369 0.128 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.3 mt -151.65 44.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.219 0.533 . . . . 0.0 110.202 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -79.77 126.53 31.07 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.583 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 t -73.3 -18.97 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 58.47 53.33 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.334 0.588 . . . . 0.0 110.541 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 9' ' ' HIS . 18.3 mmtp 73.05 135.45 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.589 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -47.67 103.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.567 2.845 . . . . 0.0 114.451 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.674 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 28.4 t30 49.97 30.94 4.34 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.428 178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 6' ' ' LYS . 70.0 t60 -59.1 -39.98 83.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.729 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.0 pt? -56.63 -42.33 78.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.217 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' HB2' ' ND2' ' A' ' 8' ' ' ASN . 56.4 mt -81.08 -38.3 27.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.628 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 4.3 mm-40 -57.79 -38.42 75.47 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.609 0.242 . . . . 0.0 110.908 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.38 79.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.287 0.565 . . . . 0.0 109.562 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.52 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.767 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.44 -49.99 75.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.3 -33.83 66.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.505 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.95 -44.73 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.349 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.3 91.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -78.76 46.23 0.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HG3' ' HB2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -175.86 16.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.72 31.84 68.39 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.712 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.465 ' HB2' ' HG3' ' A' ' 21' ' ' LYS . 7.5 t-20 -106.54 52.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.5 0.667 . . . . 0.0 109.846 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.42 53.75 2.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.81 132.71 34.5 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.371 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.81 -47.76 0.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.683 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 3.2 mm? -106.16 -54.92 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.683 ' HD3' ' HB2' ' A' ' 27' ' ' LEU . 88.8 Cg_endo . . . . . 0 C--O 1.255 1.349 0 C-N-CA 122.32 2.013 . . . . 0.0 111.631 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.53 134.06 48.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 45.02 55.28 6.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 124.032 0.832 . . . . 0.0 111.439 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 m -62.02 -40.57 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.338 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.423 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 11.5 mm100 -64.5 137.2 57.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.711 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -126.89 67.17 68.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HD3' ' C ' ' A' ' 5' ' ' GLN . 5.9 Cg_exo -78.7 45.08 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.941 2.428 . . . . 0.0 112.19 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 57.99 70.55 0.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.802 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.843 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 57.9 t60 -53.48 -37.0 62.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.752 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HA ' ' OE2' ' A' ' 13' ' ' GLU . 6.9 mp -56.81 -38.71 72.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.275 0.559 . . . . 0.0 110.363 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 tp -75.13 -42.09 57.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.066 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' A' ' 9' ' ' HIS . 16.4 pt-20 -68.27 -41.49 80.97 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 10' ' ' LEU . 14.9 pt-20 -64.47 -38.92 92.72 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -35.86 80.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.83 -48.43 81.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.088 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.37 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.318 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.52 87.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.422 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 25.7 t80 -78.52 -39.05 39.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.263 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.22 63.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.306 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 20' ' ' LYS . 9.8 tppt? -76.64 32.66 0.13 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.945 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 18' ' ' PHE . 2.4 ptpt -169.53 35.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.41 0.624 . . . . 0.0 110.064 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.49 178.46 47.82 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -72.63 -31.04 64.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -163.52 137.23 5.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.834 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.26 -35.64 88.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.383 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.61 -43.48 0.11 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -152.42 146.31 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 27' ' ' LEU . 3.1 Cg_exo . . . . . 0 C--O 1.246 0.914 0 C-N-CA 123.011 2.474 . . . . 0.0 112.029 -179.268 . . . . . . . . 1 1 . 1 stop_ save_