data_5kjg_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 5kjg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.509 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.4 m-20 -148.63 130.89 15.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.62 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.4 t-105 61.56 166.8 0.1 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 110.648 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.15 -16.27 13.38 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.192 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t 175.07 70.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.125 0.57 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -152.02 -164.17 1.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.42 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 3.2 tp60 -144.72 -61.22 0.37 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 7' ' ' GLN . 1.7 t -62.06 89.63 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.598 0.713 . . . . 0.0 110.074 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -155.35 -41.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.969 -177.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.4 131.54 6.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.726 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.72 23.02 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.437 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.98 0.419 . . . . 0.0 110.81 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 10.5 m-20 -149.34 135.45 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.606 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 57.0 t-105 61.84 165.25 0.1 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.5 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.48 -30.4 19.32 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.4 m -170.7 79.45 0.08 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.42 0.688 . . . . 0.0 109.333 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -162.92 -170.02 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 -178.291 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.637 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.25 -51.83 0.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 178.319 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.496 HG21 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.3 88.69 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.721 0.772 . . . . 0.0 109.69 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 HG12 HD23 ' A' ' 6' ' ' LEU . 1.2 mm -151.04 -59.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.799 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -148.57 153.14 37.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.625 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.97 20.34 0.76 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 9.7 m-20 -144.42 153.09 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.773 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 26.0 t-105 59.42 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.526 0.679 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -178.92 18.47 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.507 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 4' ' ' GLY . 6.7 t 159.79 -22.68 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.265 1.026 . . . . 0.0 108.511 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.11 -169.78 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 6.5 mm100 -146.56 -52.74 0.23 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.118 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.479 HG23 HD22 ' A' ' 6' ' ' LEU . 1.7 t -63.39 87.87 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.747 0.784 . . . . 0.0 109.442 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 HG12 HD21 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -150.68 -41.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.178 -177.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 138.3 13.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.818 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.76 35.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--N 1.332 -0.19 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.55 151.2 35.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.622 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 64.57 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.664 0.745 . . . . 0.0 111.112 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.69 -29.1 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -161.78 20.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.324 -0.938 . . . . 0.0 108.923 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.622 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -113.31 -168.5 1.34 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.65 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.96 -53.61 0.23 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 178.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.489 HG21 HD23 ' A' ' 6' ' ' LEU . 1.6 t -63.5 87.97 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.808 0.813 . . . . 0.0 109.463 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -150.54 -39.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.95 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 HD11 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.88 160.46 39.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.176 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' H ' HD11 ' A' ' 10' ' ' LEU . . . -170.03 20.44 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.04 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.332 -0.185 0 CA-C-O 120.737 0.304 . . . . 0.0 111.092 -179.82 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 15.3 m-20 -146.73 156.19 42.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.438 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.626 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.1 t-105 65.54 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.672 0.749 . . . . 0.0 111.271 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 -24.64 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -167.15 21.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.263 -0.968 . . . . 0.0 109.267 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.626 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -115.15 -165.54 1.03 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.382 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.5 tp60 -145.51 -60.9 0.34 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.353 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 7' ' ' GLN . 1.7 t -61.5 89.81 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.66 0.743 . . . . 0.0 109.956 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -154.98 -39.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.008 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD21 ' N ' ' A' ' 11' ' ' GLY . 1.1 tm? -165.98 125.77 1.69 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.243 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.513 ' N ' HD21 ' A' ' 10' ' ' LEU . . . -139.8 50.67 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 14.8 m-20 -146.84 140.79 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.51 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.613 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.6 t-105 61.62 166.83 0.1 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.791 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.14 -16.23 13.19 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.271 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 175.45 71.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.104 0.561 . . . . 0.0 110.038 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.613 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -154.61 -165.62 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.24 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.489 ' CA ' HE22 ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.32 -53.54 0.22 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 178.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.456 HG21 HD21 ' A' ' 6' ' ' LEU . 1.6 t -66.78 88.12 0.14 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 109.838 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG12 HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -153.43 -41.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.12 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 11' ' ' GLY . 1.1 tm? -167.92 122.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.201 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -133.88 53.04 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.229 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.74 -179.743 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.16 -92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 63.5 t-105 -54.28 166.16 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.283 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.4 -19.05 2.68 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.327 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 175.05 72.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.273 0.629 . . . . 0.0 109.915 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.612 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -155.54 -168.19 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.313 -178.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 7.0 mm-40 -146.67 -49.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.321 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.479 HG22 HD21 ' A' ' 6' ' ' LEU . 1.6 t -67.06 86.72 0.14 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.668 0.747 . . . . 0.0 109.453 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.456 HG12 HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.88 -36.48 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.321 -177.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.7 164.26 30.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.209 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -160.67 18.23 0.21 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.705 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 111.169 -179.798 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' OD2' ' HA ' ' A' ' 7' ' ' GLN . 3.6 p30 -150.3 18.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.649 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.636 ' HD1' ' HB2' ' A' ' 6' ' ' LEU . 13.7 t-105 -168.94 -43.67 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.098 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.96 -14.4 1.93 Allowed Glycine 0 N--CA 1.435 -1.403 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t 171.56 34.79 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 114.257 -0.972 . . . . 0.0 109.506 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.636 ' HB2' ' HD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -127.49 -173.71 2.98 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.951 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.621 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.82 -47.52 0.16 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.023 178.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.474 HG23 HD23 ' A' ' 6' ' ' LEU . 1.7 t -66.01 87.32 0.1 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.69 0.757 . . . . 0.0 109.865 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.86 -37.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.126 -177.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -154.46 0.52 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.542 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.12 10.26 2.83 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 111.087 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.665 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 22.6 t-105 64.83 -76.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.773 0.796 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -21.74 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.147 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.731 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -174.2 24.67 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.54 -0.83 . . . . 0.0 109.772 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.665 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -114.16 -165.61 1.02 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.562 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.428 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 3.0 tp60 -144.26 -61.24 0.38 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.362 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.424 HG22 HD22 ' A' ' 6' ' ' LEU . 1.6 t -61.94 89.38 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.64 0.733 . . . . 0.0 110.034 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -155.64 -37.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.035 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -79.44 0.51 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.243 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.8 20.69 64.49 Favored Glycine 0 C--N 1.316 -0.55 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.03 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.794 0.331 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.3 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.62 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 65.21 -76.7 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.639 0.733 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 174.62 -25.68 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -165.87 21.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.251 -0.974 . . . . 0.0 109.283 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -114.54 -165.41 1.01 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.264 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.6 tp60 -145.86 -61.14 0.33 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.371 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 7' ' ' GLN . 1.6 t -61.32 90.33 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.619 0.724 . . . . 0.0 109.963 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -154.85 -46.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.962 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -139.76 17.16 2.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 17.83 2.1 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.098 -1.049 . . . . 0.0 111.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' A' ' 10' ' ' LEU . 26.3 tpt180 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.2 m-20 -146.02 152.7 39.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.675 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.8 t-105 65.99 -75.07 0.05 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.863 0.839 . . . . 0.0 111.155 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.63 -21.04 0.08 OUTLIER Glycine 0 N--CA 1.438 -1.223 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.642 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -175.56 26.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.464 -0.868 . . . . 0.0 109.61 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.675 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -119.12 -164.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.832 -179.104 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.563 HE22 ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -143.97 -59.52 0.39 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.506 178.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -81.74 59.92 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.487 0.661 . . . . 0.0 110.306 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.625 ' HB ' HD21 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -116.09 -50.69 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.799 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.526 ' H ' HG21 ' A' ' 9' ' ' ILE . 3.9 mt 60.97 144.66 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.4 34.9 4.12 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 119.866 -1.159 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -147.93 155.3 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.77 -79.4 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.674 0.75 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.76 -29.66 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -159.94 20.15 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.75 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.642 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -112.6 -156.69 0.6 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.413 -179.098 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.761 HE21 ' H ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -150.79 -59.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.761 ' H ' HE21 ' A' ' 7' ' ' GLN . 1.5 t -82.15 90.01 6.53 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.382 0.61 . . . . 0.0 109.659 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.52 HG22 ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -167.24 -30.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.782 -177.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -138.28 22.74 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.966 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.23 21.28 1.43 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.018 -1.087 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' LEU . 57.8 ttp180 . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.056 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.5 m-20 -149.97 162.64 39.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 63.74 -78.82 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.708 0.765 . . . . 0.0 111.164 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 178.66 -30.02 0.06 OUTLIER Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -160.41 18.45 0.14 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.314 -0.943 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD23 ' HG1' ' A' ' 8' ' ' THR . 0.4 OUTLIER -109.13 -176.6 3.07 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -152.49 -26.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.764 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.597 ' HG1' HD23 ' A' ' 6' ' ' LEU . 43.1 p -82.57 45.52 0.98 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.815 0.816 . . . . 0.0 110.28 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG12 HD22 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -88.04 -34.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.757 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.38 138.61 12.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.797 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.12 34.6 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.4 mpt_? . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.4 m-20 -148.59 160.0 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.635 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.84 -77.78 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.692 0.758 . . . . 0.0 111.043 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 176.69 -28.75 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -163.56 20.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.223 -0.988 . . . . 0.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -112.97 -179.47 3.65 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.655 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.443 ' C ' ' H ' ' A' ' 9' ' ' ILE . 9.3 mm100 -154.5 178.94 9.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.959 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.36 9.71 3.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.928 0.871 . . . . 0.0 109.832 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 ' H ' ' C ' ' A' ' 7' ' ' GLN . 2.3 mm -51.44 -50.25 29.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.871 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -146.26 162.18 38.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.279 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.01 32.31 5.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.882 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.6 m-20 -148.92 136.01 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.585 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 56.6 t-105 61.72 166.23 0.1 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 110.364 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.78 -31.89 24.51 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -168.73 76.27 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.376 0.671 . . . . 0.0 109.582 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -157.52 -165.95 1.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 -178.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.5 tp60 -146.44 -59.46 0.3 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.44 HG22 HD22 ' A' ' 6' ' ' LEU . 1.6 t -61.84 89.81 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.62 0.724 . . . . 0.0 110.109 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -154.72 -42.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.014 -177.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.87 -41.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.99 -78.19 1.57 Allowed Glycine 0 C--N 1.316 -0.53 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.116 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.705 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.37 154.86 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.599 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 64.19 -78.47 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 177.9 -29.24 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -161.46 19.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.276 -0.962 . . . . 0.0 109.12 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -110.16 -179.09 3.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.515 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.642 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -149.62 -27.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.555 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.582 ' HG1' HD23 ' A' ' 6' ' ' LEU . 43.4 p -81.68 44.72 0.83 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.775 0.798 . . . . 0.0 110.349 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 7' ' ' GLN . 0.9 OUTLIER -84.94 -43.66 17.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.05 139.41 11.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.04 46.51 1.06 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.589 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.8 p30 -165.13 168.98 16.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 23.6 t-105 62.35 -79.64 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 177.52 -29.29 0.07 OUTLIER Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -164.61 20.62 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.401 -0.9 . . . . 0.0 109.4 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.37 -166.79 1.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.769 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.413 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 2.5 tp60 -145.27 -59.73 0.34 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.356 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.443 HG23 HD23 ' A' ' 6' ' ' LEU . 1.6 t -62.31 88.98 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.711 0.767 . . . . 0.0 110.026 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.45 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.918 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.17 101.48 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.579 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.8 20.2 34.38 Favored Glycine 0 N--CA 1.434 -1.49 0 C-N-CA 119.236 -1.459 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.0 mpt_? . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.78 0.324 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' HB2' HG21 ' A' ' 9' ' ' ILE . 2.1 p30 -167.27 157.37 11.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 57.8 t-105 60.44 165.74 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.709 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.87 -16.84 19.43 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t 173.22 74.82 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.242 0.617 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.653 HD21 HG12 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -153.95 -174.33 4.92 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -178.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.438 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 10.1 mm100 -152.25 -30.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.539 ' HG1' HD22 ' A' ' 6' ' ' LEU . 55.8 p -83.35 48.72 1.44 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.72 0.772 . . . . 0.0 110.558 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.653 HG12 HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -98.93 -22.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.839 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -137.62 162.94 32.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.245 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.567 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -171.45 23.35 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.834 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.744 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.807 0.336 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.634 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 12.9 t70 -165.42 -75.43 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.285 0.564 . . . . 0.0 110.485 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.643 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 60.2 t-105 -52.53 164.43 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.205 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -46.51 -32.08 5.32 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' GLY . 42.0 m -172.46 71.39 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.341 0.656 . . . . 0.0 110.088 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.643 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -144.49 -150.32 0.31 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.624 -179.483 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.576 ' O ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -170.26 170.83 7.05 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.46 10.49 4.02 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 109.45 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 24.5 mm -98.3 11.2 6.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.832 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 93.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.711 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.52 15.99 55.03 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.586 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' TRP . 10.5 m-20 -126.85 -136.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.618 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 2.7 t-105 -31.01 -49.77 0.14 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.765 0.793 . . . . 0.0 111.476 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.13 -18.82 0.55 Allowed Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -179.56 26.24 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.913 -1.144 . . . . 0.0 109.567 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.618 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -120.9 -171.32 2.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.504 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.781 ' HG3' ' HG1' ' A' ' 8' ' ' THR . 0.0 OUTLIER -155.7 158.01 37.56 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.974 178.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.781 ' HG1' ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 71.18 2.31 4.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 0.0 110.474 -179.109 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.459 HG12 HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.31 -11.35 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.09 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.06 90.04 0.06 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.933 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.19 17.79 56.03 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 119.651 -1.262 . . . . 0.0 111.511 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm -88.22 142.5 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.4 m-20 -148.63 130.89 15.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.62 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.4 t-105 61.56 166.8 0.1 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 110.648 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.15 -16.27 13.38 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.192 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t 175.07 70.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.125 0.57 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -152.02 -164.17 1.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.42 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 3.2 tp60 -144.72 -61.22 0.37 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 7' ' ' GLN . 1.7 t -62.06 89.63 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.598 0.713 . . . . 0.0 110.074 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -155.35 -41.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.969 -177.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.4 131.54 6.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.726 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.72 23.02 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.437 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 57.31 21.12 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.98 0.419 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -81.03 167.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.165 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.3 t30 58.53 97.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.05 164.88 35.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -140.74 126.37 19.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.0 t -137.47 6.43 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -58.4 -21.44 50.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.8 m -58.17 129.89 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.879 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -91.83 156.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.41 -23.99 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.87 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttm -148.01 133.5 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 10.5 m-20 -149.34 135.45 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.606 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 57.0 t-105 61.84 165.25 0.1 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.5 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.48 -30.4 19.32 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.4 m -170.7 79.45 0.08 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.42 0.688 . . . . 0.0 109.333 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -162.92 -170.02 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 -178.291 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.637 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.25 -51.83 0.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 178.319 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.496 HG21 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.3 88.69 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.721 0.772 . . . . 0.0 109.69 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 HG12 HD23 ' A' ' 6' ' ' LEU . 1.2 mm -151.04 -59.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.799 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -148.57 153.14 37.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.625 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.97 20.34 0.76 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.85 21.36 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.2 m -110.44 -9.16 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -101.32 134.42 44.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -159.57 -51.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -135.94 156.94 47.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.013 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m 58.67 17.62 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -57.87 -23.34 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 t -61.3 123.98 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.3 pt -76.89 141.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.26 -5.88 82.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp -147.53 145.15 28.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 9.7 m-20 -144.42 153.09 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.773 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 26.0 t-105 59.42 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.526 0.679 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -178.92 18.47 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.507 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 4' ' ' GLY . 6.7 t 159.79 -22.68 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.265 1.026 . . . . 0.0 108.511 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.11 -169.78 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 6.5 mm100 -146.56 -52.74 0.23 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.118 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.479 HG23 HD22 ' A' ' 6' ' ' LEU . 1.7 t -63.39 87.87 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.747 0.784 . . . . 0.0 109.442 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 HG12 HD21 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -150.68 -41.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.178 -177.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 138.3 13.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.818 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.76 35.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 57.92 21.43 7.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.85 139.99 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.39 -20.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 60.77 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -168.05 126.75 1.21 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -133.95 -160.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m 64.57 9.84 5.4 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.131 0.491 . . . . 0.0 110.675 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -97.47 123.47 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.84 113.24 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.64 -11.81 61.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.878 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm -152.37 142.15 21.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.55 151.2 35.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.622 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 64.57 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.664 0.745 . . . . 0.0 111.112 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.69 -29.1 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -161.78 20.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.324 -0.938 . . . . 0.0 108.923 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -113.31 -168.5 1.34 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.65 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.96 -53.61 0.23 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 178.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.489 HG21 HD23 ' A' ' 6' ' ' LEU . 1.6 t -63.5 87.97 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.808 0.813 . . . . 0.0 109.463 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -150.54 -39.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.95 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD11 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.88 160.46 39.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.176 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.557 ' H ' HD11 ' A' ' 10' ' ' LEU . . . -170.03 20.44 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.04 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 53.64 26.47 5.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.737 0.304 . . . . 0.0 111.092 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.2 -32.46 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -81.86 114.32 20.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -78.12 -24.25 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -141.44 128.1 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.5 m -148.43 -77.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.9 t 39.3 31.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.536 0.522 . . . . 0.0 111.326 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -94.14 120.77 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.973 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tp -158.27 140.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.57 -5.49 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.422 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.841 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp -138.31 20.69 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 15.3 m-20 -146.73 156.19 42.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.438 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.626 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.1 t-105 65.54 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.672 0.749 . . . . 0.0 111.271 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 -24.64 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -167.15 21.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.263 -0.968 . . . . 0.0 109.267 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.626 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -115.15 -165.54 1.03 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.382 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.5 tp60 -145.51 -60.9 0.34 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.353 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 7' ' ' GLN . 1.7 t -61.5 89.81 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.66 0.743 . . . . 0.0 109.956 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -154.98 -39.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.008 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD21 ' N ' ' A' ' 11' ' ' GLY . 1.1 tm? -165.98 125.77 1.69 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.243 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.513 ' N ' HD21 ' A' ' 10' ' ' LEU . . . -139.8 50.67 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 57.15 27.74 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.01 133.21 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.65 116.84 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -164.49 -58.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -128.46 -172.38 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 19' ' ' SER . 92.3 p 49.68 29.99 3.42 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -79.96 33.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.261 0.553 . . . . 0.0 110.459 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.443 ' H ' ' C ' ' A' ' 17' ' ' SER . 9.7 t -80.57 18.75 0.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.071 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -90.06 138.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.74 12.92 4.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.002 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm -149.27 21.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 14.8 m-20 -146.84 140.79 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.51 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.613 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.6 t-105 61.62 166.83 0.1 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.791 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.14 -16.23 13.19 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.271 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 175.45 71.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.104 0.561 . . . . 0.0 110.038 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.613 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -154.61 -165.62 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.24 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' CA ' HE22 ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.32 -53.54 0.22 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 178.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.456 HG21 HD21 ' A' ' 6' ' ' LEU . 1.6 t -66.78 88.12 0.14 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 109.838 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG12 HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -153.43 -41.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.12 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 11' ' ' GLY . 1.1 tm? -167.92 122.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.201 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -133.88 53.04 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.229 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 57.4 74.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.74 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.06 140.59 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.5 167.9 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -98.89 141.29 31.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -95.15 171.83 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -74.35 8.55 2.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -80.67 47.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.216 0.532 . . . . 0.0 110.054 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -81.02 21.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.175 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt 61.81 103.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.76 -9.37 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 pttm . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.009 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt -116.18 18.44 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.16 -92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 63.5 t-105 -54.28 166.16 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.283 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.4 -19.05 2.68 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.327 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 175.05 72.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.273 0.629 . . . . 0.0 109.915 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -155.54 -168.19 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.313 -178.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 7.0 mm-40 -146.67 -49.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.321 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.479 HG22 HD21 ' A' ' 6' ' ' LEU . 1.6 t -67.06 86.72 0.14 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.668 0.747 . . . . 0.0 109.453 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.456 HG12 HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.88 -36.48 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.321 -177.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.7 164.26 30.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.209 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.557 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -160.67 18.23 0.21 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.705 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 55.17 22.2 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 111.169 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.42 -7.87 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.72 1.31 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -112.09 143.95 42.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -109.06 -9.77 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 t -89.63 7.26 37.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 m -59.42 -19.86 50.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.731 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -56.4 114.89 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 tt -156.4 142.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.85 -35.57 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.028 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -96.43 128.04 42.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' OD2' ' HA ' ' A' ' 7' ' ' GLN . 3.6 p30 -150.3 18.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.649 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.636 ' HD1' ' HB2' ' A' ' 6' ' ' LEU . 13.7 t-105 -168.94 -43.67 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.098 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.96 -14.4 1.93 Allowed Glycine 0 N--CA 1.435 -1.403 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t 171.56 34.79 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 114.257 -0.972 . . . . 0.0 109.506 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.636 ' HB2' ' HD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -127.49 -173.71 2.98 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.951 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.621 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.82 -47.52 0.16 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.023 178.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.474 HG23 HD23 ' A' ' 6' ' ' LEU . 1.7 t -66.01 87.32 0.1 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.69 0.757 . . . . 0.0 109.865 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.86 -37.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.126 -177.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -154.46 0.52 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.542 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.12 10.26 2.83 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 55.26 22.23 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 111.087 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.15 -34.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -104.11 112.77 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -161.34 119.79 2.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -105.79 137.36 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p 50.11 -162.97 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m 61.12 12.28 3.96 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m -89.37 20.32 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 pt -124.9 150.45 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.18 -43.61 1.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.973 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt 58.99 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.665 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 22.6 t-105 64.83 -76.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.773 0.796 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -21.74 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.147 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.731 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -174.2 24.67 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.54 -0.83 . . . . 0.0 109.772 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.665 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -114.16 -165.61 1.02 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.562 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 3.0 tp60 -144.26 -61.24 0.38 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.362 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.424 HG22 HD22 ' A' ' 6' ' ' LEU . 1.6 t -61.94 89.38 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.64 0.733 . . . . 0.0 110.034 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -155.64 -37.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.035 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -79.44 0.51 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.243 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.8 20.69 64.49 Favored Glycine 0 C--N 1.316 -0.55 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.03 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 58.03 21.4 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -91.61 95.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 m120 56.49 -170.01 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.4 tttm 58.88 94.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.3 m80 57.18 -174.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.229 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -155.44 10.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 m -59.37 -19.59 48.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 t -54.21 111.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.6 pt -81.21 160.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.81 10.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -93.38 159.29 15.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.794 0.331 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.3 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.62 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 65.21 -76.7 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.639 0.733 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 174.62 -25.68 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -165.87 21.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.251 -0.974 . . . . 0.0 109.283 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -114.54 -165.41 1.01 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.264 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.6 tp60 -145.86 -61.14 0.33 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.371 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 7' ' ' GLN . 1.6 t -61.32 90.33 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.619 0.724 . . . . 0.0 109.963 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -154.85 -46.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.962 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -139.76 17.16 2.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 17.83 2.1 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.098 -1.049 . . . . 0.0 111.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' A' ' 10' ' ' LEU . 26.3 tpt180 56.85 89.09 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.54 138.62 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -116.31 179.51 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.781 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 62.72 -80.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.149 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 65.4 155.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -69.25 -163.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m 62.58 13.13 6.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.187 0.518 . . . . 0.0 110.467 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -68.86 160.19 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.97 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -162.92 140.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.54 17.62 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.589 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.018 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -94.55 120.47 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.2 m-20 -146.02 152.7 39.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.675 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.8 t-105 65.99 -75.07 0.05 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.863 0.839 . . . . 0.0 111.155 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.63 -21.04 0.08 OUTLIER Glycine 0 N--CA 1.438 -1.223 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.642 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -175.56 26.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.464 -0.868 . . . . 0.0 109.61 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.675 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -119.12 -164.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.832 -179.104 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.563 HE22 ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -143.97 -59.52 0.39 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.506 178.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -81.74 59.92 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.487 0.661 . . . . 0.0 110.306 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.625 ' HB ' HD21 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -116.09 -50.69 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.799 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.526 ' H ' HG21 ' A' ' 9' ' ' ILE . 3.9 mt 60.97 144.66 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.4 34.9 4.12 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 119.866 -1.159 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 60.05 22.34 11.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.79 -179.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.551 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -68.24 171.33 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.948 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -79.27 -65.85 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -108.72 128.85 55.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 19' ' ' SER . 52.3 m -134.36 13.01 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -80.97 33.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 0.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 17' ' ' SER . 53.9 p -79.96 17.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.1 pt -106.86 172.39 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 146.08 -8.0 1.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.906 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.63 128.44 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -147.93 155.3 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.77 -79.4 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.674 0.75 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.76 -29.66 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -159.94 20.15 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.75 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.642 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -112.6 -156.69 0.6 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.413 -179.098 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.761 HE21 ' H ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -150.79 -59.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.761 ' H ' HE21 ' A' ' 7' ' ' GLN . 1.5 t -82.15 90.01 6.53 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.382 0.61 . . . . 0.0 109.659 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.52 HG22 ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -167.24 -30.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.782 -177.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -138.28 22.74 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.966 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.23 21.28 1.43 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.018 -1.087 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' LEU . 57.8 ttp180 60.6 97.43 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.056 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.26 -38.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -150.13 -6.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.763 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 60.79 99.39 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.071 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -100.05 162.31 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -158.1 5.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -58.28 -22.43 52.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -58.63 154.23 14.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.3 pt -118.28 168.9 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.46 20.97 20.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.845 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt -141.54 120.93 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.5 m-20 -149.97 162.64 39.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 63.74 -78.82 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.708 0.765 . . . . 0.0 111.164 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 178.66 -30.02 0.06 OUTLIER Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -160.41 18.45 0.14 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.314 -0.943 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD23 ' HG1' ' A' ' 8' ' ' THR . 0.4 OUTLIER -109.13 -176.6 3.07 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' ILE . 10.8 mm-40 -152.49 -26.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.764 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.597 ' HG1' HD23 ' A' ' 6' ' ' LEU . 43.1 p -82.57 45.52 0.98 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.815 0.816 . . . . 0.0 110.28 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG12 HD22 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -88.04 -34.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.757 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.38 138.61 12.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.797 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.12 34.6 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.4 mpt_? 57.64 22.64 8.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.12 -61.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -85.81 120.3 27.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -93.72 3.6 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 60.68 103.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.4 t -127.74 -1.45 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.7 t -69.2 -4.95 19.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -58.47 126.84 29.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.006 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 tt -95.18 141.42 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.52 -12.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.54 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.044 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp -87.68 -179.66 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.4 m-20 -148.59 160.0 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.635 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.84 -77.78 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.692 0.758 . . . . 0.0 111.043 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 176.69 -28.75 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -163.56 20.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.223 -0.988 . . . . 0.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -112.97 -179.47 3.65 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.655 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.443 ' C ' ' H ' ' A' ' 9' ' ' ILE . 9.3 mm100 -154.5 178.94 9.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.959 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.36 9.71 3.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.928 0.871 . . . . 0.0 109.832 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 ' H ' ' C ' ' A' ' 7' ' ' GLN . 2.3 mm -51.44 -50.25 29.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.871 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -146.26 162.18 38.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.279 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.01 32.31 5.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 59.27 20.92 9.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.71 149.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -149.25 151.02 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -128.96 -65.75 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.807 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -114.99 151.73 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 m -146.96 12.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 t -60.15 -15.75 26.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.044 0.449 . . . . 0.0 110.952 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.5 t -66.67 131.78 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.0 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt 60.8 102.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.53 20.57 3.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.97 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.18 -175.71 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.373 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.6 m-20 -148.92 136.01 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.585 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 56.6 t-105 61.72 166.23 0.1 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 110.364 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.78 -31.89 24.51 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -168.73 76.27 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.376 0.671 . . . . 0.0 109.582 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -157.52 -165.95 1.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 -178.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.5 tp60 -146.44 -59.46 0.3 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.44 HG22 HD22 ' A' ' 6' ' ' LEU . 1.6 t -61.84 89.81 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.62 0.724 . . . . 0.0 110.109 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -154.72 -42.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.014 -177.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -158.87 -41.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.99 -78.19 1.57 Allowed Glycine 0 C--N 1.316 -0.53 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.116 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -169.82 23.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 10' ' ' LEU . 34.3 m -76.79 173.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.289 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -102.02 -177.36 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' HZ1' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -138.65 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -66.96 -66.76 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.509 ' HB2' ' HZ1' ' A' ' 15' ' ' LYS . 33.3 t 57.94 22.65 8.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 t -58.58 -17.01 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -64.15 122.78 17.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.981 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.67 140.74 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.71 13.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp -143.07 150.76 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.37 154.86 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.599 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 64.19 -78.47 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 177.9 -29.24 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -161.46 19.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.276 -0.962 . . . . 0.0 109.12 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -110.16 -179.09 3.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.515 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.642 HE22 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -149.62 -27.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.555 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.582 ' HG1' HD23 ' A' ' 6' ' ' LEU . 43.4 p -81.68 44.72 0.83 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.775 0.798 . . . . 0.0 110.349 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 7' ' ' GLN . 0.9 OUTLIER -84.94 -43.66 17.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.05 139.41 11.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.04 46.51 1.06 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.589 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 57.71 21.39 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.07 -8.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -125.26 135.53 52.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' HZ2' ' HD1' ' A' ' 16' ' ' HIS . 62.5 tttm -148.47 103.27 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HD1' ' HZ2' ' A' ' 15' ' ' LYS . 62.4 m80 60.93 106.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -82.62 10.98 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m -60.47 -18.09 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -53.65 135.85 40.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -112.83 4.59 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.31 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.91 -8.79 61.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.577 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.917 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp -86.4 135.96 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.8 p30 -165.13 168.98 16.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 23.6 t-105 62.35 -79.64 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 177.52 -29.29 0.07 OUTLIER Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -164.61 20.62 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.401 -0.9 . . . . 0.0 109.4 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.37 -166.79 1.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.769 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.413 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 2.5 tp60 -145.27 -59.73 0.34 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.356 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.443 HG23 HD23 ' A' ' 6' ' ' LEU . 1.6 t -62.31 88.98 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.711 0.767 . . . . 0.0 110.026 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.45 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.918 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.17 101.48 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.579 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.8 20.2 34.38 Favored Glycine 0 N--CA 1.434 -1.49 0 C-N-CA 119.236 -1.459 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.0 mpt_? 57.99 22.14 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -86.93 -2.14 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -98.65 178.94 4.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -73.59 -67.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -160.98 -36.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -144.97 4.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -60.74 -19.11 58.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -54.96 116.01 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -95.73 140.56 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.5 -25.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm -102.85 167.93 9.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' HB2' HG21 ' A' ' 9' ' ' ILE . 2.1 p30 -167.27 157.37 11.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 57.8 t-105 60.44 165.74 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.709 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.87 -16.84 19.43 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t 173.22 74.82 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.242 0.617 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.653 HD21 HG12 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -153.95 -174.33 4.92 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -178.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 10.1 mm100 -152.25 -30.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.539 ' HG1' HD22 ' A' ' 6' ' ' LEU . 55.8 p -83.35 48.72 1.44 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.72 0.772 . . . . 0.0 110.558 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.653 HG12 HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -98.93 -22.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.839 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -137.62 162.94 32.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.245 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.567 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -171.45 23.35 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.834 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 58.75 20.99 8.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.65 139.9 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.005 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -127.26 102.67 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt 60.59 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -160.28 112.49 2.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -161.03 9.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -76.23 9.72 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -80.72 18.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.04 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.1 pt -98.44 162.03 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.31 19.08 6.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.01 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm -133.48 -175.41 3.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.336 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.634 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 12.9 t70 -165.42 -75.43 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.285 0.564 . . . . 0.0 110.485 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.643 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 60.2 t-105 -52.53 164.43 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.205 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -46.51 -32.08 5.32 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' GLY . 42.0 m -172.46 71.39 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.341 0.656 . . . . 0.0 110.088 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.643 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -144.49 -150.32 0.31 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.624 -179.483 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.576 ' O ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -170.26 170.83 7.05 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.46 10.49 4.02 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 109.45 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 24.5 mm -98.3 11.2 6.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.832 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 93.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.711 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.52 15.99 55.03 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.586 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -106.23 12.04 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.512 HG13 ' HZ3' ' A' ' 15' ' ' LYS . 29.0 t -127.92 140.33 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -157.98 6.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.568 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -70.23 -3.11 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -62.18 -59.86 4.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.8 m 58.91 19.2 6.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -74.9 6.61 3.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 t -53.84 118.87 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 tt -106.58 139.47 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.27 -29.2 6.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.895 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -144.89 176.72 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' TRP . 10.5 m-20 -126.85 -136.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.618 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 2.7 t-105 -31.01 -49.77 0.14 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.765 0.793 . . . . 0.0 111.476 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.13 -18.82 0.55 Allowed Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -179.56 26.24 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.913 -1.144 . . . . 0.0 109.567 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.618 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -120.9 -171.32 2.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.504 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.781 ' HG3' ' HG1' ' A' ' 8' ' ' THR . 0.0 OUTLIER -155.7 158.01 37.56 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.974 178.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.781 ' HG1' ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 71.18 2.31 4.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 0.0 110.474 -179.109 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.459 HG12 HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.31 -11.35 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.09 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.9 mm? -64.06 90.04 0.06 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.933 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.19 17.79 56.03 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 119.651 -1.262 . . . . 0.0 111.511 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -112.52 15.98 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 10' ' ' LEU . 35.0 m -92.56 168.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.181 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -142.55 139.4 31.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -152.64 -28.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 60.5 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.5 m -75.89 -80.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 t 38.59 31.6 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.48 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 t -84.05 175.55 9.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.962 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.3 pt -69.2 175.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.33 40.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.803 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.4 m-20 -148.63 130.89 15.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.4 t-105 61.56 166.8 0.1 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 110.648 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.15 -16.27 13.38 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.192 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t 175.07 70.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.125 0.57 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -152.02 -164.17 1.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.402 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -144.72 -61.22 0.37 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 178.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.475 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -62.06 89.63 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.598 0.713 . . . . 0.0 110.074 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -155.35 -41.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.969 -177.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.4 131.54 6.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.726 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.72 23.02 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.437 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.98 0.419 . . . . 0.0 110.81 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.5 m-20 -149.34 135.45 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.648 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 57.0 t-105 61.84 165.25 0.1 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.5 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.48 -30.4 19.32 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.4 m -170.7 79.45 0.08 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.42 0.688 . . . . 0.0 109.333 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -162.92 -170.02 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 -178.291 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 2' ' ' ASP . 15.2 mm-40 -146.25 -51.83 0.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.606 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.3 88.69 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.721 0.772 . . . . 0.0 109.69 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm -151.04 -59.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.799 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -148.57 153.14 37.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.625 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.97 20.34 0.76 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 9.7 m-20 -144.42 153.09 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.773 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.616 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 26.0 t-105 59.42 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.526 0.679 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -178.92 18.47 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.507 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 4' ' ' GLY . 6.7 t 159.79 -22.68 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.265 1.026 . . . . 0.0 108.511 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.11 -169.78 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -146.56 -52.74 0.23 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.118 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.567 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -63.39 87.87 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.747 0.784 . . . . 0.0 109.442 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -150.68 -41.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.178 -177.469 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 138.3 13.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.818 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.76 35.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--N 1.332 -0.19 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.55 151.2 35.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.639 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 64.57 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.664 0.745 . . . . 0.0 111.112 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.69 -29.1 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -161.78 20.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.324 -0.938 . . . . 0.0 108.923 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -113.31 -168.5 1.34 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -146.96 -53.61 0.23 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.5 87.97 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.808 0.813 . . . . 0.0 109.463 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -150.54 -39.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.95 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.88 160.46 39.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.176 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.595 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -170.03 20.44 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.04 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.332 -0.185 0 CA-C-O 120.737 0.304 . . . . 0.0 111.092 -179.82 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 15.3 m-20 -146.73 156.19 42.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.438 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.646 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.1 t-105 65.54 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.672 0.749 . . . . 0.0 111.271 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 -24.64 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -167.15 21.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.263 -0.968 . . . . 0.0 109.267 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.646 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -115.15 -165.54 1.03 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.382 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -145.51 -60.9 0.34 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.353 178.734 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.452 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -61.5 89.81 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.66 0.743 . . . . 0.0 109.956 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.98 -39.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.008 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -165.98 125.77 1.69 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.243 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -139.8 50.67 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 14.8 m-20 -146.84 140.79 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.51 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.6 t-105 61.62 166.83 0.1 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.791 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.14 -16.23 13.19 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.271 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 175.45 71.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.104 0.561 . . . . 0.0 110.038 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -154.61 -165.62 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.24 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.3 OUTLIER -147.32 -53.54 0.22 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 178.494 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.536 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -66.78 88.12 0.14 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 109.838 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -153.43 -41.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.12 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -167.92 122.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.201 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -133.88 53.04 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.229 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.74 -179.743 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 9' ' ' ILE . 10.3 m-20 -149.16 -92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 63.5 t-105 -54.28 166.16 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.283 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.4 -19.05 2.68 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.327 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 175.05 72.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.273 0.629 . . . . 0.0 109.915 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -155.54 -168.19 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.313 -178.596 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -146.67 -49.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.321 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.595 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -67.06 86.72 0.14 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.668 0.747 . . . . 0.0 109.453 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.88 -36.48 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.321 -177.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.7 164.26 30.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.209 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.599 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -160.67 18.23 0.21 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.705 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 111.169 -179.798 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD2' ' HA ' ' A' ' 7' ' ' GLN . 3.6 p30 -150.3 18.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.649 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.644 ' HD1' ' HB2' ' A' ' 6' ' ' LEU . 13.7 t-105 -168.94 -43.67 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.098 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.96 -14.4 1.93 Allowed Glycine 0 N--CA 1.435 -1.403 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t 171.56 34.79 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 114.257 -0.972 . . . . 0.0 109.506 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.644 ' HB2' ' HD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -127.49 -173.71 2.98 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.951 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HA ' ' OD2' ' A' ' 2' ' ' ASP . 15.0 mm-40 -147.82 -47.52 0.16 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.023 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.568 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -66.01 87.32 0.1 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.69 0.757 . . . . 0.0 109.865 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.86 -37.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.126 -177.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -154.46 0.52 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.542 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.12 10.26 2.83 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 111.087 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 22.6 t-105 64.83 -76.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.773 0.796 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -21.74 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.147 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.731 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -174.2 24.67 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.54 -0.83 . . . . 0.0 109.772 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.685 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -114.16 -165.61 1.02 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.562 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.5 OUTLIER -144.26 -61.24 0.38 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.362 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.94 89.38 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.64 0.733 . . . . 0.0 110.034 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -155.64 -37.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.035 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -79.44 0.51 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.243 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.8 20.69 64.49 Favored Glycine 0 C--N 1.316 -0.55 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.03 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.794 0.331 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.3 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 65.21 -76.7 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.639 0.733 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 174.62 -25.68 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -165.87 21.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.251 -0.974 . . . . 0.0 109.283 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -114.54 -165.41 1.01 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.264 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -145.86 -61.14 0.33 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.371 178.768 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.32 90.33 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.619 0.724 . . . . 0.0 109.963 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.85 -46.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.962 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -139.76 17.16 2.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 17.83 2.1 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.098 -1.049 . . . . 0.0 111.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' LEU . 26.3 tpt180 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.2 m-20 -146.02 152.7 39.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.695 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.8 t-105 65.99 -75.07 0.05 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.863 0.839 . . . . 0.0 111.155 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.63 -21.04 0.08 OUTLIER Glycine 0 N--CA 1.438 -1.223 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.642 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -175.56 26.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.464 -0.868 . . . . 0.0 109.61 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.695 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -119.12 -164.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.832 -179.104 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -143.97 -59.52 0.39 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.506 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -81.74 59.92 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.487 0.661 . . . . 0.0 110.306 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -116.09 -50.69 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.799 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' H ' HG23 ' A' ' 9' ' ' ILE . 3.9 mt 60.97 144.66 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.4 34.9 4.12 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 119.866 -1.159 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -147.93 155.3 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.77 -79.4 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.674 0.75 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.76 -29.66 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -159.94 20.15 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.75 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -112.6 -156.69 0.6 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.413 -179.098 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' HG2' ' N ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -150.79 -59.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.5 t -82.15 90.01 6.53 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.382 0.61 . . . . 0.0 109.659 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -167.24 -30.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.782 -177.556 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -138.28 22.74 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.966 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.23 21.28 1.43 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.018 -1.087 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' LEU . 57.8 ttp180 . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.056 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.5 m-20 -149.97 162.64 39.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.606 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 63.74 -78.82 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.708 0.765 . . . . 0.0 111.164 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 178.66 -30.02 0.06 OUTLIER Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -160.41 18.45 0.14 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.314 -0.943 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.13 -176.6 3.07 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -152.49 -26.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.764 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 p -82.57 45.52 0.98 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.815 0.816 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -34.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.757 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.38 138.61 12.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.797 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.12 34.6 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.4 mpt_? . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.4 m-20 -148.59 160.0 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.652 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.84 -77.78 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.692 0.758 . . . . 0.0 111.043 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 176.69 -28.75 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -163.56 20.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.223 -0.988 . . . . 0.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.652 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -112.97 -179.47 3.65 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.655 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -154.5 178.94 9.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.959 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.36 9.71 3.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.928 0.871 . . . . 0.0 109.832 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.44 -50.25 29.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.871 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -146.26 162.18 38.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.279 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.01 32.31 5.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.882 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.548 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.6 m-20 -148.92 136.01 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.604 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 56.6 t-105 61.72 166.23 0.1 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 110.364 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.78 -31.89 24.51 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -168.73 76.27 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.376 0.671 . . . . 0.0 109.582 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -157.52 -165.95 1.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 -178.658 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -146.44 -59.46 0.3 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.607 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.84 89.81 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.62 0.724 . . . . 0.0 110.109 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -154.72 -42.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.014 -177.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.87 -41.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.99 -78.19 1.57 Allowed Glycine 0 C--N 1.316 -0.53 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.116 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.705 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.37 154.86 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 64.19 -78.47 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 177.9 -29.24 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -161.46 19.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.276 -0.962 . . . . 0.0 109.12 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -110.16 -179.09 3.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.515 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -149.62 -27.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.555 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -81.68 44.72 0.83 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.775 0.798 . . . . 0.0 110.349 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -84.94 -43.66 17.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.05 139.41 11.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.04 46.51 1.06 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.589 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.8 p30 -165.13 168.98 16.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 23.6 t-105 62.35 -79.64 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 177.52 -29.29 0.07 OUTLIER Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -164.61 20.62 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.401 -0.9 . . . . 0.0 109.4 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.684 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.37 -166.79 1.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.769 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -145.27 -59.73 0.34 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.356 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -62.31 88.98 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.711 0.767 . . . . 0.0 110.026 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.45 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.918 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.17 101.48 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.579 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.8 20.2 34.38 Favored Glycine 0 N--CA 1.434 -1.49 0 C-N-CA 119.236 -1.459 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.0 mpt_? . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.78 0.324 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.458 ' HB2' HG21 ' A' ' 9' ' ' ILE . 2.1 p30 -167.27 157.37 11.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 57.8 t-105 60.44 165.74 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.709 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.87 -16.84 19.43 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t 173.22 74.82 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.242 0.617 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -153.95 -174.33 4.92 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -178.638 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.42 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 10.1 mm100 -152.25 -30.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.8 p -83.35 48.72 1.44 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.72 0.772 . . . . 0.0 110.558 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG12 HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -98.93 -22.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.839 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -137.62 162.94 32.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.245 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.606 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -171.45 23.35 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.834 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.744 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.807 0.336 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.657 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 12.9 t70 -165.42 -75.43 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.285 0.564 . . . . 0.0 110.485 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.659 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 60.2 t-105 -52.53 164.43 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.205 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -46.51 -32.08 5.32 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' GLY . 42.0 m -172.46 71.39 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.341 0.656 . . . . 0.0 110.088 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.659 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -144.49 -150.32 0.31 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.624 -179.483 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.574 ' O ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -170.26 170.83 7.05 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.46 10.49 4.02 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 109.45 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 24.5 mm -98.3 11.2 6.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.832 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 93.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.711 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.52 15.99 55.03 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.586 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' TRP . 10.5 m-20 -126.85 -136.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.636 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 2.7 t-105 -31.01 -49.77 0.14 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.765 0.793 . . . . 0.0 111.476 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.13 -18.82 0.55 Allowed Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -179.56 26.24 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.913 -1.144 . . . . 0.0 109.567 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -120.9 -171.32 2.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.504 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 2.7 tp60 -155.7 158.01 37.56 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.444 ' OG1' ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 71.18 2.31 4.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 0.0 110.474 -179.109 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.499 HG12 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.31 -11.35 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.09 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.06 90.04 0.06 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.933 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.19 17.79 56.03 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 119.651 -1.262 . . . . 0.0 111.511 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm -88.22 142.5 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.4 m-20 -148.63 130.89 15.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.4 t-105 61.56 166.8 0.1 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 110.648 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.15 -16.27 13.38 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.192 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t 175.07 70.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.125 0.57 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -152.02 -164.17 1.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -144.72 -61.22 0.37 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 178.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.475 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -62.06 89.63 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.598 0.713 . . . . 0.0 110.074 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -155.35 -41.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.969 -177.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.4 131.54 6.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.726 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.72 23.02 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.437 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 57.31 21.12 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.98 0.419 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -81.03 167.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.165 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.3 t30 58.53 97.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.05 164.88 35.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -140.74 126.37 19.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.0 t -137.47 6.43 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -58.4 -21.44 50.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.8 m -58.17 129.89 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.879 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -91.83 156.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.41 -23.99 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.87 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttm -148.01 133.5 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.5 m-20 -149.34 135.45 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.648 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 57.0 t-105 61.84 165.25 0.1 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.5 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.48 -30.4 19.32 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.4 m -170.7 79.45 0.08 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.42 0.688 . . . . 0.0 109.333 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -162.92 -170.02 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 -178.291 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 2' ' ' ASP . 15.2 mm-40 -146.25 -51.83 0.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.606 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.3 88.69 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.721 0.772 . . . . 0.0 109.69 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm -151.04 -59.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.799 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -148.57 153.14 37.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.625 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.97 20.34 0.76 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.85 21.36 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.2 m -110.44 -9.16 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -101.32 134.42 44.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -159.57 -51.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -135.94 156.94 47.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.013 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m 58.67 17.62 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -57.87 -23.34 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 t -61.3 123.98 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.3 pt -76.89 141.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.26 -5.88 82.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp -147.53 145.15 28.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 9.7 m-20 -144.42 153.09 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.773 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.616 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 26.0 t-105 59.42 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.526 0.679 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -178.92 18.47 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.507 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 4' ' ' GLY . 6.7 t 159.79 -22.68 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.265 1.026 . . . . 0.0 108.511 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.11 -169.78 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -146.56 -52.74 0.23 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.118 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.567 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -63.39 87.87 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.747 0.784 . . . . 0.0 109.442 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -150.68 -41.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.178 -177.469 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 138.3 13.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.818 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.76 35.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 57.92 21.43 7.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.85 139.99 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.39 -20.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 60.77 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -168.05 126.75 1.21 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -133.95 -160.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m 64.57 9.84 5.4 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.131 0.491 . . . . 0.0 110.675 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -97.47 123.47 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.84 113.24 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.64 -11.81 61.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.878 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm -152.37 142.15 21.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.55 151.2 35.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.639 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 64.57 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.664 0.745 . . . . 0.0 111.112 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.69 -29.1 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -161.78 20.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.324 -0.938 . . . . 0.0 108.923 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -113.31 -168.5 1.34 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -146.96 -53.61 0.23 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.5 87.97 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.808 0.813 . . . . 0.0 109.463 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -150.54 -39.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.95 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.88 160.46 39.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.176 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.595 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -170.03 20.44 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.04 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 53.64 26.47 5.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.737 0.304 . . . . 0.0 111.092 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.2 -32.46 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -81.86 114.32 20.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -78.12 -24.25 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -141.44 128.1 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.5 m -148.43 -77.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.9 t 39.3 31.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.536 0.522 . . . . 0.0 111.326 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -94.14 120.77 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.973 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tp -158.27 140.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.57 -5.49 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.422 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.841 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp -138.31 20.69 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 15.3 m-20 -146.73 156.19 42.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.438 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.646 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.1 t-105 65.54 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.672 0.749 . . . . 0.0 111.271 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 -24.64 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -167.15 21.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.263 -0.968 . . . . 0.0 109.267 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.646 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -115.15 -165.54 1.03 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.382 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -145.51 -60.9 0.34 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.353 178.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -61.5 89.81 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.66 0.743 . . . . 0.0 109.956 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.98 -39.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.008 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -165.98 125.77 1.69 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.243 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -139.8 50.67 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 57.15 27.74 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.01 133.21 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.65 116.84 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -164.49 -58.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -128.46 -172.38 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 19' ' ' SER . 92.3 p 49.68 29.99 3.42 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -79.96 33.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.261 0.553 . . . . 0.0 110.459 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 17' ' ' SER . 9.7 t -80.57 18.75 0.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.071 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -90.06 138.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.74 12.92 4.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.002 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm -149.27 21.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 14.8 m-20 -146.84 140.79 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.51 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.6 t-105 61.62 166.83 0.1 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.791 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.14 -16.23 13.19 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.271 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 175.45 71.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.104 0.561 . . . . 0.0 110.038 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -154.61 -165.62 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.24 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.3 OUTLIER -147.32 -53.54 0.22 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 178.494 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.536 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -66.78 88.12 0.14 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 109.838 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -153.43 -41.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.12 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -167.92 122.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.201 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -133.88 53.04 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.229 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 57.4 74.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.74 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.06 140.59 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.5 167.9 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -98.89 141.29 31.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -95.15 171.83 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -74.35 8.55 2.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -80.67 47.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.216 0.532 . . . . 0.0 110.054 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -81.02 21.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.175 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt 61.81 103.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.76 -9.37 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 pttm . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.009 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt -116.18 18.44 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 9' ' ' ILE . 10.3 m-20 -149.16 -92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 63.5 t-105 -54.28 166.16 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.283 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.4 -19.05 2.68 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.327 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 175.05 72.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.273 0.629 . . . . 0.0 109.915 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -155.54 -168.19 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.313 -178.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -146.67 -49.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.321 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.595 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -67.06 86.72 0.14 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.668 0.747 . . . . 0.0 109.453 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.88 -36.48 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.321 -177.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.7 164.26 30.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.209 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -160.67 18.23 0.21 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.705 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 55.17 22.2 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 111.169 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.42 -7.87 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.72 1.31 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -112.09 143.95 42.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -109.06 -9.77 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 t -89.63 7.26 37.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 m -59.42 -19.86 50.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.731 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -56.4 114.89 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 tt -156.4 142.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.85 -35.57 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.028 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -96.43 128.04 42.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD2' ' HA ' ' A' ' 7' ' ' GLN . 3.6 p30 -150.3 18.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.649 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.644 ' HD1' ' HB2' ' A' ' 6' ' ' LEU . 13.7 t-105 -168.94 -43.67 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.098 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.96 -14.4 1.93 Allowed Glycine 0 N--CA 1.435 -1.403 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t 171.56 34.79 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 114.257 -0.972 . . . . 0.0 109.506 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.644 ' HB2' ' HD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -127.49 -173.71 2.98 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.951 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HA ' ' OD2' ' A' ' 2' ' ' ASP . 15.0 mm-40 -147.82 -47.52 0.16 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.023 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.568 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -66.01 87.32 0.1 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.69 0.757 . . . . 0.0 109.865 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.86 -37.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.126 -177.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -154.46 0.52 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.542 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.12 10.26 2.83 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 55.26 22.23 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 111.087 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.15 -34.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -104.11 112.77 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -161.34 119.79 2.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -105.79 137.36 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p 50.11 -162.97 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m 61.12 12.28 3.96 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m -89.37 20.32 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 pt -124.9 150.45 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.18 -43.61 1.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.973 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt 58.99 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 22.6 t-105 64.83 -76.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.773 0.796 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -21.74 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.147 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.731 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -174.2 24.67 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.54 -0.83 . . . . 0.0 109.772 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.685 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -114.16 -165.61 1.02 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.562 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.5 OUTLIER -144.26 -61.24 0.38 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.362 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.94 89.38 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.64 0.733 . . . . 0.0 110.034 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -155.64 -37.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.035 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -79.44 0.51 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.243 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.8 20.69 64.49 Favored Glycine 0 C--N 1.316 -0.55 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.03 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 58.03 21.4 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -91.61 95.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 m120 56.49 -170.01 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.4 tttm 58.88 94.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.3 m80 57.18 -174.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.229 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -155.44 10.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 m -59.37 -19.59 48.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 t -54.21 111.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.6 pt -81.21 160.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.81 10.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -93.38 159.29 15.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.794 0.331 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.3 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 65.21 -76.7 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.639 0.733 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 174.62 -25.68 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -165.87 21.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.251 -0.974 . . . . 0.0 109.283 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -114.54 -165.41 1.01 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.264 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -145.86 -61.14 0.33 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.371 178.768 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.32 90.33 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.619 0.724 . . . . 0.0 109.963 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.85 -46.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.962 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -139.76 17.16 2.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 17.83 2.1 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.098 -1.049 . . . . 0.0 111.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' LEU . 26.3 tpt180 56.85 89.09 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.54 138.62 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -116.31 179.51 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.781 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 62.72 -80.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.149 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 65.4 155.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -69.25 -163.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m 62.58 13.13 6.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.187 0.518 . . . . 0.0 110.467 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -68.86 160.19 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.97 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -162.92 140.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.54 17.62 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.589 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.018 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -94.55 120.47 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.2 m-20 -146.02 152.7 39.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.695 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.8 t-105 65.99 -75.07 0.05 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.863 0.839 . . . . 0.0 111.155 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.63 -21.04 0.08 OUTLIER Glycine 0 N--CA 1.438 -1.223 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.642 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -175.56 26.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.464 -0.868 . . . . 0.0 109.61 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.695 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -119.12 -164.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.832 -179.104 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -143.97 -59.52 0.39 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.506 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -81.74 59.92 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.487 0.661 . . . . 0.0 110.306 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -116.09 -50.69 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.799 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' H ' HG23 ' A' ' 9' ' ' ILE . 3.9 mt 60.97 144.66 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.4 34.9 4.12 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 119.866 -1.159 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 60.05 22.34 11.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.79 -179.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.24 171.33 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -79.27 -65.85 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -108.72 128.85 55.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 19' ' ' SER . 52.3 m -134.36 13.01 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -80.97 33.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 0.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 17' ' ' SER . 53.9 p -79.96 17.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.1 pt -106.86 172.39 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 146.08 -8.0 1.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.906 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.63 128.44 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -147.93 155.3 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.77 -79.4 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.674 0.75 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.76 -29.66 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -159.94 20.15 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.75 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -112.6 -156.69 0.6 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.413 -179.098 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' HG2' ' N ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -150.79 -59.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HG2' ' A' ' 7' ' ' GLN . 1.5 t -82.15 90.01 6.53 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.382 0.61 . . . . 0.0 109.659 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -167.24 -30.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.782 -177.556 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -138.28 22.74 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.966 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.23 21.28 1.43 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.018 -1.087 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' LEU . 57.8 ttp180 60.6 97.43 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.056 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.26 -38.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -150.13 -6.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.763 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 60.79 99.39 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.071 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -100.05 162.31 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -158.1 5.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -58.28 -22.43 52.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -58.63 154.23 14.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.3 pt -118.28 168.9 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.46 20.97 20.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.845 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt -141.54 120.93 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.5 m-20 -149.97 162.64 39.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.606 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 63.74 -78.82 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.708 0.765 . . . . 0.0 111.164 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 178.66 -30.02 0.06 OUTLIER Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -160.41 18.45 0.14 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.314 -0.943 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.13 -176.6 3.07 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -152.49 -26.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.764 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 p -82.57 45.52 0.98 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.815 0.816 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -34.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.757 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.38 138.61 12.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.797 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.12 34.6 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.4 mpt_? 57.64 22.64 8.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.12 -61.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -85.81 120.3 27.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -93.72 3.6 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 60.68 103.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.4 t -127.74 -1.45 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.7 t -69.2 -4.95 19.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -58.47 126.84 29.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.006 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 tt -95.18 141.42 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.52 -12.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.54 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.044 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp -87.68 -179.66 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.4 m-20 -148.59 160.0 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.652 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.84 -77.78 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.692 0.758 . . . . 0.0 111.043 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 176.69 -28.75 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -163.56 20.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.223 -0.988 . . . . 0.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.652 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -112.97 -179.47 3.65 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.655 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -154.5 178.94 9.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.959 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.36 9.71 3.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.928 0.871 . . . . 0.0 109.832 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.44 -50.25 29.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.871 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -146.26 162.18 38.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.279 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.01 32.31 5.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 59.27 20.92 9.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.71 149.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -149.25 151.02 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -128.96 -65.75 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.807 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -114.99 151.73 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 m -146.96 12.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 t -60.15 -15.75 26.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.044 0.449 . . . . 0.0 110.952 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.5 t -66.67 131.78 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.0 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt 60.8 102.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.53 20.57 3.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.97 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.18 -175.71 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.373 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.548 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.6 m-20 -148.92 136.01 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.604 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 56.6 t-105 61.72 166.23 0.1 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 110.364 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.78 -31.89 24.51 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -168.73 76.27 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.376 0.671 . . . . 0.0 109.582 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -157.52 -165.95 1.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 -178.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -146.44 -59.46 0.3 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.84 89.81 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.62 0.724 . . . . 0.0 110.109 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -154.72 -42.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.014 -177.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -158.87 -41.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.99 -78.19 1.57 Allowed Glycine 0 C--N 1.316 -0.53 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.116 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -169.82 23.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.478 HG22 ' HG ' ' A' ' 10' ' ' LEU . 34.3 m -76.79 173.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.289 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -102.02 -177.36 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -138.65 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -66.96 -66.76 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t 57.94 22.65 8.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 t -58.58 -17.01 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -64.15 122.78 17.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.981 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.67 140.74 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.71 13.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp -143.07 150.76 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.37 154.86 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 64.19 -78.47 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 177.9 -29.24 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -161.46 19.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.276 -0.962 . . . . 0.0 109.12 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -110.16 -179.09 3.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.515 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -149.62 -27.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.555 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -81.68 44.72 0.83 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.775 0.798 . . . . 0.0 110.349 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -84.94 -43.66 17.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.05 139.41 11.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.04 46.51 1.06 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.589 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 57.71 21.39 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.07 -8.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -125.26 135.53 52.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -148.47 103.27 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.4 m80 60.93 106.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -82.62 10.98 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m -60.47 -18.09 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -53.65 135.85 40.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -112.83 4.59 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.31 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.91 -8.79 61.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.577 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.917 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp -86.4 135.96 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.8 p30 -165.13 168.98 16.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 23.6 t-105 62.35 -79.64 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 177.52 -29.29 0.07 OUTLIER Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -164.61 20.62 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.401 -0.9 . . . . 0.0 109.4 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.684 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.37 -166.79 1.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.769 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -145.27 -59.73 0.34 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.356 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -62.31 88.98 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.711 0.767 . . . . 0.0 110.026 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.45 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.918 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.17 101.48 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.579 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.8 20.2 34.38 Favored Glycine 0 N--CA 1.434 -1.49 0 C-N-CA 119.236 -1.459 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.0 mpt_? 57.99 22.14 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -86.93 -2.14 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -98.65 178.94 4.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -73.59 -67.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -160.98 -36.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -144.97 4.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -60.74 -19.11 58.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -54.96 116.01 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -95.73 140.56 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.5 -25.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm -102.85 167.93 9.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' HB2' HG21 ' A' ' 9' ' ' ILE . 2.1 p30 -167.27 157.37 11.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 57.8 t-105 60.44 165.74 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.709 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.87 -16.84 19.43 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t 173.22 74.82 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.242 0.617 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -153.95 -174.33 4.92 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -178.638 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.42 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 10.1 mm100 -152.25 -30.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.8 p -83.35 48.72 1.44 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.72 0.772 . . . . 0.0 110.558 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG12 HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -98.93 -22.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.839 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -137.62 162.94 32.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.245 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.606 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -171.45 23.35 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.834 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 58.75 20.99 8.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.65 139.9 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.005 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -127.26 102.67 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt 60.59 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -160.28 112.49 2.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -161.03 9.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -76.23 9.72 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -80.72 18.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.04 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.1 pt -98.44 162.03 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.31 19.08 6.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.01 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm -133.48 -175.41 3.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.336 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.657 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 12.9 t70 -165.42 -75.43 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.285 0.564 . . . . 0.0 110.485 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.659 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 60.2 t-105 -52.53 164.43 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.205 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -46.51 -32.08 5.32 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' GLY . 42.0 m -172.46 71.39 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.341 0.656 . . . . 0.0 110.088 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -144.49 -150.32 0.31 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.624 -179.483 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.574 ' O ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -170.26 170.83 7.05 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.46 10.49 4.02 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 109.45 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 24.5 mm -98.3 11.2 6.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.832 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 93.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.711 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.52 15.99 55.03 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.586 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -106.23 12.04 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 t -127.92 140.33 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -157.98 6.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.592 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -70.23 -3.11 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -62.18 -59.86 4.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.8 m 58.91 19.2 6.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -74.9 6.61 3.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 t -53.84 118.87 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 tt -106.58 139.47 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.27 -29.2 6.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.895 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -144.89 176.72 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' TRP . 10.5 m-20 -126.85 -136.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.636 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 2.7 t-105 -31.01 -49.77 0.14 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.765 0.793 . . . . 0.0 111.476 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.13 -18.82 0.55 Allowed Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -179.56 26.24 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.913 -1.144 . . . . 0.0 109.567 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -120.9 -171.32 2.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.504 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 2.7 tp60 -155.7 158.01 37.56 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 ' OG1' ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 71.18 2.31 4.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 0.0 110.474 -179.109 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.499 HG12 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.31 -11.35 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.09 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.473 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.9 mm? -64.06 90.04 0.06 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.933 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.19 17.79 56.03 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 119.651 -1.262 . . . . 0.0 111.511 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -112.52 15.98 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 10' ' ' LEU . 35.0 m -92.56 168.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.181 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -142.55 139.4 31.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -152.64 -28.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 60.5 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.5 m -75.89 -80.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 t 38.59 31.6 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.48 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 t -84.05 175.55 9.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.962 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.3 pt -69.2 175.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.33 40.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.803 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.4 m-20 -148.63 130.89 15.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.4 t-105 61.56 166.8 0.1 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 110.648 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.15 -16.27 13.38 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.192 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t 175.07 70.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.125 0.57 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -152.02 -164.17 1.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.402 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 3.2 tp60 -144.72 -61.22 0.37 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.475 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -62.06 89.63 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.598 0.713 . . . . 0.0 110.074 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -155.35 -41.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.969 -177.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.4 131.54 6.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.726 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.72 23.02 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.437 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.98 0.419 . . . . 0.0 110.81 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.5 m-20 -149.34 135.45 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.648 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 57.0 t-105 61.84 165.25 0.1 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.5 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.48 -30.4 19.32 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.4 m -170.7 79.45 0.08 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.42 0.688 . . . . 0.0 109.333 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -162.92 -170.02 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 -178.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.665 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.25 -51.83 0.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 178.319 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.606 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.3 88.69 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.721 0.772 . . . . 0.0 109.69 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm -151.04 -59.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.799 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -148.57 153.14 37.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.625 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.97 20.34 0.76 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 9.7 m-20 -144.42 153.09 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.773 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.616 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 26.0 t-105 59.42 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.526 0.679 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -178.92 18.47 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.507 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 4' ' ' GLY . 6.7 t 159.79 -22.68 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.265 1.026 . . . . 0.0 108.511 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.11 -169.78 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.48 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 6.5 mm100 -146.56 -52.74 0.23 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.118 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.567 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -63.39 87.87 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.747 0.784 . . . . 0.0 109.442 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -150.68 -41.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.178 -177.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 138.3 13.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.818 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.76 35.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--N 1.332 -0.19 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.55 151.2 35.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.639 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 64.57 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.664 0.745 . . . . 0.0 111.112 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.69 -29.1 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -161.78 20.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.324 -0.938 . . . . 0.0 108.923 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -113.31 -168.5 1.34 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.681 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.96 -53.61 0.23 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 178.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.5 87.97 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.808 0.813 . . . . 0.0 109.463 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -150.54 -39.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.95 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.88 160.46 39.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.176 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.595 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -170.03 20.44 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.04 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.332 -0.185 0 CA-C-O 120.737 0.304 . . . . 0.0 111.092 -179.82 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 15.3 m-20 -146.73 156.19 42.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.438 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.646 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.1 t-105 65.54 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.672 0.749 . . . . 0.0 111.271 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 -24.64 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -167.15 21.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.263 -0.968 . . . . 0.0 109.267 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.646 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -115.15 -165.54 1.03 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.382 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.5 tp60 -145.51 -60.9 0.34 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.353 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.452 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -61.5 89.81 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.66 0.743 . . . . 0.0 109.956 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.98 -39.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.008 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -165.98 125.77 1.69 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.243 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -139.8 50.67 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 14.8 m-20 -146.84 140.79 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.51 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.6 t-105 61.62 166.83 0.1 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.791 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.14 -16.23 13.19 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.271 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 175.45 71.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.104 0.561 . . . . 0.0 110.038 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -154.61 -165.62 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.24 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.505 HE21 ' CA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.32 -53.54 0.22 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 178.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.536 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -66.78 88.12 0.14 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 109.838 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -153.43 -41.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.12 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -167.92 122.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.201 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -133.88 53.04 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.229 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.74 -179.743 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 9' ' ' ILE . 10.3 m-20 -149.16 -92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 63.5 t-105 -54.28 166.16 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.283 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.4 -19.05 2.68 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.327 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 175.05 72.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.273 0.629 . . . . 0.0 109.915 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -155.54 -168.19 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.313 -178.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.482 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 7.0 mm-40 -146.67 -49.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.321 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.595 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -67.06 86.72 0.14 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.668 0.747 . . . . 0.0 109.453 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.88 -36.48 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.321 -177.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.7 164.26 30.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.209 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.599 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -160.67 18.23 0.21 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.705 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 111.169 -179.798 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD2' ' HA ' ' A' ' 7' ' ' GLN . 3.6 p30 -150.3 18.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.649 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.644 ' HD1' ' HB2' ' A' ' 6' ' ' LEU . 13.7 t-105 -168.94 -43.67 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.098 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.96 -14.4 1.93 Allowed Glycine 0 N--CA 1.435 -1.403 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t 171.56 34.79 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 114.257 -0.972 . . . . 0.0 109.506 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.644 ' HB2' ' HD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -127.49 -173.71 2.98 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.951 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.82 -47.52 0.16 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.023 178.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.568 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -66.01 87.32 0.1 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.69 0.757 . . . . 0.0 109.865 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.86 -37.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.126 -177.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -154.46 0.52 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.542 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.12 10.26 2.83 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 111.087 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 22.6 t-105 64.83 -76.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.773 0.796 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -21.74 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.147 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.731 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -174.2 24.67 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.54 -0.83 . . . . 0.0 109.772 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.685 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -114.16 -165.61 1.02 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.562 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 8' ' ' THR . 3.0 tp60 -144.26 -61.24 0.38 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.362 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.94 89.38 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.64 0.733 . . . . 0.0 110.034 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -155.64 -37.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.035 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -79.44 0.51 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.243 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.8 20.69 64.49 Favored Glycine 0 C--N 1.316 -0.55 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.03 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.794 0.331 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.3 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 65.21 -76.7 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.639 0.733 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 174.62 -25.68 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -165.87 21.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.251 -0.974 . . . . 0.0 109.283 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -114.54 -165.41 1.01 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.264 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.6 tp60 -145.86 -61.14 0.33 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.371 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.32 90.33 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.619 0.724 . . . . 0.0 109.963 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.85 -46.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.962 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -139.76 17.16 2.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 17.83 2.1 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.098 -1.049 . . . . 0.0 111.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' LEU . 26.3 tpt180 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.2 m-20 -146.02 152.7 39.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.695 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.8 t-105 65.99 -75.07 0.05 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.863 0.839 . . . . 0.0 111.155 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.63 -21.04 0.08 OUTLIER Glycine 0 N--CA 1.438 -1.223 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.642 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -175.56 26.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.464 -0.868 . . . . 0.0 109.61 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.695 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -119.12 -164.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.832 -179.104 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.585 ' N ' HE21 ' A' ' 7' ' ' GLN . 0.0 OUTLIER -143.97 -59.52 0.39 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.506 178.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -81.74 59.92 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.487 0.661 . . . . 0.0 110.306 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -116.09 -50.69 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.799 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' H ' HG23 ' A' ' 9' ' ' ILE . 3.9 mt 60.97 144.66 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.4 34.9 4.12 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 119.866 -1.159 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -147.93 155.3 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.77 -79.4 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.674 0.75 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.76 -29.66 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -159.94 20.15 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.75 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -112.6 -156.69 0.6 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.413 -179.098 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.757 HE21 ' H ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -150.79 -59.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.757 ' H ' HE21 ' A' ' 7' ' ' GLN . 1.5 t -82.15 90.01 6.53 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.382 0.61 . . . . 0.0 109.659 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -167.24 -30.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.782 -177.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -138.28 22.74 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.966 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.23 21.28 1.43 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.018 -1.087 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' LEU . 57.8 ttp180 . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.056 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.5 m-20 -149.97 162.64 39.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.606 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 63.74 -78.82 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.708 0.765 . . . . 0.0 111.164 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 178.66 -30.02 0.06 OUTLIER Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -160.41 18.45 0.14 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.314 -0.943 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.13 -176.6 3.07 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -152.49 -26.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.764 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 p -82.57 45.52 0.98 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.815 0.816 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -34.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.757 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.38 138.61 12.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.797 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.12 34.6 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.4 mpt_? . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.4 m-20 -148.59 160.0 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.652 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.84 -77.78 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.692 0.758 . . . . 0.0 111.043 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 176.69 -28.75 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -163.56 20.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.223 -0.988 . . . . 0.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.652 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -112.97 -179.47 3.65 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.655 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -154.5 178.94 9.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.959 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.36 9.71 3.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.928 0.871 . . . . 0.0 109.832 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.44 -50.25 29.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.871 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -146.26 162.18 38.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.279 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.01 32.31 5.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.882 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.548 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.6 m-20 -148.92 136.01 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.604 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 56.6 t-105 61.72 166.23 0.1 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 110.364 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.78 -31.89 24.51 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -168.73 76.27 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.376 0.671 . . . . 0.0 109.582 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -157.52 -165.95 1.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 -178.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.5 tp60 -146.44 -59.46 0.3 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.84 89.81 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.62 0.724 . . . . 0.0 110.109 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -154.72 -42.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.014 -177.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.87 -41.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.99 -78.19 1.57 Allowed Glycine 0 C--N 1.316 -0.53 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.116 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.705 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.37 154.86 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 64.19 -78.47 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 177.9 -29.24 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -161.46 19.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.276 -0.962 . . . . 0.0 109.12 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -110.16 -179.09 3.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.515 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.672 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -149.62 -27.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.555 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -81.68 44.72 0.83 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.775 0.798 . . . . 0.0 110.349 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -84.94 -43.66 17.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.05 139.41 11.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.04 46.51 1.06 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.589 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.8 p30 -165.13 168.98 16.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 23.6 t-105 62.35 -79.64 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 177.52 -29.29 0.07 OUTLIER Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -164.61 20.62 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.401 -0.9 . . . . 0.0 109.4 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.684 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.37 -166.79 1.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.769 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -145.27 -59.73 0.34 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.356 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -62.31 88.98 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.711 0.767 . . . . 0.0 110.026 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.45 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.918 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.17 101.48 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.579 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.8 20.2 34.38 Favored Glycine 0 N--CA 1.434 -1.49 0 C-N-CA 119.236 -1.459 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.0 mpt_? . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.78 0.324 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.458 ' HB2' HG21 ' A' ' 9' ' ' ILE . 2.1 p30 -167.27 157.37 11.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 57.8 t-105 60.44 165.74 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.709 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.87 -16.84 19.43 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t 173.22 74.82 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.242 0.617 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -153.95 -174.33 4.92 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -178.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.42 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 10.1 mm100 -152.25 -30.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.8 p -83.35 48.72 1.44 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.72 0.772 . . . . 0.0 110.558 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG12 HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -98.93 -22.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.839 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -137.62 162.94 32.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.245 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.606 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -171.45 23.35 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.834 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.744 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.807 0.336 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.657 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 12.9 t70 -165.42 -75.43 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.285 0.564 . . . . 0.0 110.485 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.659 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 60.2 t-105 -52.53 164.43 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.205 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -46.51 -32.08 5.32 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' GLY . 42.0 m -172.46 71.39 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.341 0.656 . . . . 0.0 110.088 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.659 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -144.49 -150.32 0.31 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.624 -179.483 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.595 ' H ' HE21 ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.26 170.83 7.05 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.46 10.49 4.02 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 109.45 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 24.5 mm -98.3 11.2 6.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.832 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 93.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.711 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.52 15.99 55.03 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.586 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' TRP . 10.5 m-20 -126.85 -136.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.636 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 2.7 t-105 -31.01 -49.77 0.14 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.765 0.793 . . . . 0.0 111.476 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.13 -18.82 0.55 Allowed Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -179.56 26.24 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.913 -1.144 . . . . 0.0 109.567 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -120.9 -171.32 2.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.504 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.596 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -155.7 158.01 37.56 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.974 178.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.444 ' OG1' ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 71.18 2.31 4.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 0.0 110.474 -179.109 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.499 HG12 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.31 -11.35 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.09 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.06 90.04 0.06 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.933 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.19 17.79 56.03 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 119.651 -1.262 . . . . 0.0 111.511 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 ttm -88.22 142.5 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.4 m-20 -148.63 130.89 15.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.4 t-105 61.56 166.8 0.1 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 110.648 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.15 -16.27 13.38 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.192 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t 175.07 70.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.125 0.57 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -152.02 -164.17 1.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' H ' ' CG ' ' A' ' 6' ' ' LEU . 3.2 tp60 -144.72 -61.22 0.37 Allowed 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.475 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -62.06 89.63 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.598 0.713 . . . . 0.0 110.074 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -155.35 -41.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.969 -177.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.4 131.54 6.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.726 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.72 23.02 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.437 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 57.31 21.12 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.98 0.419 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -81.03 167.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.165 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.3 t30 58.53 97.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.05 164.88 35.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -140.74 126.37 19.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.0 t -137.47 6.43 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -58.4 -21.44 50.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.8 m -58.17 129.89 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.879 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -91.83 156.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.41 -23.99 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.87 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 ttm -148.01 133.5 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.5 m-20 -149.34 135.45 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.648 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 57.0 t-105 61.84 165.25 0.1 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.5 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.48 -30.4 19.32 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.4 m -170.7 79.45 0.08 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.42 0.688 . . . . 0.0 109.333 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -162.92 -170.02 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 -178.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.665 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.25 -51.83 0.23 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 178.319 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.606 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.3 88.69 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.721 0.772 . . . . 0.0 109.69 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm -151.04 -59.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.799 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -148.57 153.14 37.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.625 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.97 20.34 0.76 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.85 21.36 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.2 m -110.44 -9.16 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -101.32 134.42 44.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -159.57 -51.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -135.94 156.94 47.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.013 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m 58.67 17.62 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -57.87 -23.34 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.1 t -61.3 123.98 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.988 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.3 pt -76.89 141.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.26 -5.88 82.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp -147.53 145.15 28.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 9.7 m-20 -144.42 153.09 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.773 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.616 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 26.0 t-105 59.42 -88.7 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.526 0.679 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -178.92 18.47 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.507 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 4' ' ' GLY . 6.7 t 159.79 -22.68 0.0 OUTLIER 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.265 1.026 . . . . 0.0 108.511 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.11 -169.78 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.48 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 6.5 mm100 -146.56 -52.74 0.23 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.118 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.567 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -63.39 87.87 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.747 0.784 . . . . 0.0 109.442 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -150.68 -41.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.178 -177.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.68 138.3 13.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.818 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.76 35.06 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 57.92 21.43 7.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.85 139.99 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.39 -20.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 60.77 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -168.05 126.75 1.21 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -133.95 -160.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m 64.57 9.84 5.4 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.131 0.491 . . . . 0.0 110.675 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -97.47 123.47 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.84 113.24 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.64 -11.81 61.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.878 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm -152.37 142.15 21.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.55 151.2 35.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.639 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 64.57 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.664 0.745 . . . . 0.0 111.112 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.69 -29.1 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -161.78 20.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.324 -0.938 . . . . 0.0 108.923 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -113.31 -168.5 1.34 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.681 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -146.96 -53.61 0.23 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 178.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -63.5 87.97 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.808 0.813 . . . . 0.0 109.463 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -150.54 -39.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.95 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.88 160.46 39.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.176 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.595 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -170.03 20.44 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.04 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 53.64 26.47 5.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.737 0.304 . . . . 0.0 111.092 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.2 -32.46 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -81.86 114.32 20.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -78.12 -24.25 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -141.44 128.1 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.5 m -148.43 -77.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.9 t 39.3 31.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.536 0.522 . . . . 0.0 111.326 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -94.14 120.77 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.973 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tp -158.27 140.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -153.57 -5.49 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.422 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.841 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp -138.31 20.69 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 15.3 m-20 -146.73 156.19 42.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.438 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.646 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.1 t-105 65.54 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.672 0.749 . . . . 0.0 111.271 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 -24.64 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -167.15 21.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.263 -0.968 . . . . 0.0 109.267 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.646 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -115.15 -165.54 1.03 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.382 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.5 tp60 -145.51 -60.9 0.34 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.353 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -61.5 89.81 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.66 0.743 . . . . 0.0 109.956 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.98 -39.11 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.008 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -165.98 125.77 1.69 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.243 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -139.8 50.67 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 57.15 27.74 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.01 133.21 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.65 116.84 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -164.49 -58.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -128.46 -172.38 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 19' ' ' SER . 92.3 p 49.68 29.99 3.42 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -79.96 33.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.261 0.553 . . . . 0.0 110.459 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 17' ' ' SER . 9.7 t -80.57 18.75 0.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.071 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 tt -90.06 138.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.74 12.92 4.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.002 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm -149.27 21.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 14.8 m-20 -146.84 140.79 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.51 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 61.6 t-105 61.62 166.83 0.1 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.791 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.14 -16.23 13.19 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.271 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 175.45 71.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.104 0.561 . . . . 0.0 110.038 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -154.61 -165.62 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.24 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.505 HE21 ' CA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.32 -53.54 0.22 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.662 178.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.536 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -66.78 88.12 0.14 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 109.838 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -153.43 -41.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.12 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.1 tm? -167.92 122.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.201 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' HD22 ' A' ' 10' ' ' LEU . . . -133.88 53.04 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.229 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 57.4 74.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.74 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.06 140.59 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.5 167.9 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -98.89 141.29 31.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -95.15 171.83 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -74.35 8.55 2.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -80.67 47.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.216 0.532 . . . . 0.0 110.054 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -81.02 21.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.175 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt 61.81 103.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.76 -9.37 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 pttm . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.009 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt -116.18 18.44 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' HG21 ' A' ' 9' ' ' ILE . 10.3 m-20 -149.16 -92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.646 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 63.5 t-105 -54.28 166.16 0.44 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.283 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.4 -19.05 2.68 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.327 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 175.05 72.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.273 0.629 . . . . 0.0 109.915 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -155.54 -168.19 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.313 -178.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.482 ' HA ' ' NE2' ' A' ' 7' ' ' GLN . 7.0 mm-40 -146.67 -49.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.321 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.595 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -67.06 86.72 0.14 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.668 0.747 . . . . 0.0 109.453 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.88 -36.48 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.321 -177.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -139.7 164.26 30.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.209 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -160.67 18.23 0.21 Allowed Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.705 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 55.17 22.2 4.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 111.169 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.42 -7.87 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.72 1.31 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -112.09 143.95 42.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -109.06 -9.77 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 t -89.63 7.26 37.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 m -59.42 -19.86 50.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.731 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -56.4 114.89 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 tt -156.4 142.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.85 -35.57 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.028 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -96.43 128.04 42.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' OD2' ' HA ' ' A' ' 7' ' ' GLN . 3.6 p30 -150.3 18.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 110.649 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.644 ' HD1' ' HB2' ' A' ' 6' ' ' LEU . 13.7 t-105 -168.94 -43.67 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.098 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.96 -14.4 1.93 Allowed Glycine 0 N--CA 1.435 -1.403 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t 171.56 34.79 0.0 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 114.257 -0.972 . . . . 0.0 109.506 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.644 ' HB2' ' HD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -127.49 -173.71 2.98 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.951 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -147.82 -47.52 0.16 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.023 178.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.568 HG23 HD21 ' A' ' 6' ' ' LEU . 1.7 t -66.01 87.32 0.1 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.69 0.757 . . . . 0.0 109.865 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG12 HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -151.86 -37.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.126 -177.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -154.46 0.52 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.542 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.12 10.26 2.83 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 55.26 22.23 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 111.087 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.15 -34.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -104.11 112.77 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -161.34 119.79 2.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -105.79 137.36 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p 50.11 -162.97 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m 61.12 12.28 3.96 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m -89.37 20.32 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 pt -124.9 150.45 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.18 -43.61 1.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.973 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt 58.99 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 22.6 t-105 64.83 -76.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.773 0.796 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 -21.74 0.08 OUTLIER Glycine 0 N--CA 1.439 -1.147 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.731 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -174.2 24.67 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 114.54 -0.83 . . . . 0.0 109.772 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.685 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -114.16 -165.61 1.02 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.562 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 8' ' ' THR . 3.0 tp60 -144.26 -61.24 0.38 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.362 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.94 89.38 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.64 0.733 . . . . 0.0 110.034 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 mm -155.64 -37.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.035 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.74 -79.44 0.51 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.243 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.8 20.69 64.49 Favored Glycine 0 C--N 1.316 -0.55 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.03 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 58.03 21.4 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -91.61 95.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 m120 56.49 -170.01 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.4 tttm 58.88 94.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.3 m80 57.18 -174.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.229 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 m -155.44 10.1 0.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 m -59.37 -19.59 48.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 t -54.21 111.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.6 pt -81.21 160.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.81 10.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -93.38 159.29 15.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.794 0.331 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.3 163.24 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.0 t-105 65.21 -76.7 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.639 0.733 . . . . 0.0 111.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 174.62 -25.68 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -165.87 21.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.251 -0.974 . . . . 0.0 109.283 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.64 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -114.54 -165.41 1.01 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.264 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 8' ' ' THR . 2.6 tp60 -145.86 -61.14 0.33 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.371 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.32 90.33 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.619 0.724 . . . . 0.0 109.963 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.85 -46.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.962 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -139.76 17.16 2.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 17.83 2.1 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.098 -1.049 . . . . 0.0 111.845 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' LEU . 26.3 tpt180 56.85 89.09 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.54 138.62 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -116.31 179.51 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.781 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER 62.72 -80.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.149 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 65.4 155.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -69.25 -163.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m 62.58 13.13 6.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.187 0.518 . . . . 0.0 110.467 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -68.86 160.19 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.97 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -162.92 140.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.54 17.62 0.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.589 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.018 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -94.55 120.47 34.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.2 m-20 -146.02 152.7 39.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.695 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.8 t-105 65.99 -75.07 0.05 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.863 0.839 . . . . 0.0 111.155 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.63 -21.04 0.08 OUTLIER Glycine 0 N--CA 1.438 -1.223 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.642 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -175.56 26.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.464 -0.868 . . . . 0.0 109.61 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.695 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -119.12 -164.72 1.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.832 -179.104 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.585 ' N ' HE21 ' A' ' 7' ' ' GLN . 0.0 OUTLIER -143.97 -59.52 0.39 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.506 178.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -81.74 59.92 4.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.487 0.661 . . . . 0.0 110.306 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -116.09 -50.69 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.799 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' H ' HG23 ' A' ' 9' ' ' ILE . 3.9 mt 60.97 144.66 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.4 34.9 4.12 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 119.866 -1.159 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 60.05 22.34 11.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.79 -179.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.557 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -68.24 171.33 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.948 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -79.27 -65.85 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -108.72 128.85 55.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 19' ' ' SER . 52.3 m -134.36 13.01 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -80.97 33.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 0.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 17' ' ' SER . 53.9 p -79.96 17.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.215 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.1 pt -106.86 172.39 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 146.08 -8.0 1.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.906 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.63 128.44 42.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -147.93 155.3 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.77 -79.4 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.674 0.75 . . . . 0.0 111.089 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.76 -29.66 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -159.94 20.15 0.16 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.75 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -112.6 -156.69 0.6 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.413 -179.098 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.757 HE21 ' H ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -150.79 -59.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.757 ' H ' HE21 ' A' ' 7' ' ' GLN . 1.5 t -82.15 90.01 6.53 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.382 0.61 . . . . 0.0 109.659 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -167.24 -30.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.782 -177.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -138.28 22.74 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.966 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.23 21.28 1.43 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.018 -1.087 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' LEU . 57.8 ttp180 60.6 97.43 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.056 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.26 -38.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -150.13 -6.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.763 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt 60.79 99.39 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.071 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -100.05 162.31 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -158.1 5.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -58.28 -22.43 52.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -58.63 154.23 14.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.3 pt -118.28 168.9 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.46 20.97 20.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.845 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt -141.54 120.93 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.5 m-20 -149.97 162.64 39.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.606 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 63.74 -78.82 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.708 0.765 . . . . 0.0 111.164 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 178.66 -30.02 0.06 OUTLIER Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -160.41 18.45 0.14 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.314 -0.943 . . . . 0.0 108.969 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.13 -176.6 3.07 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -152.49 -26.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.764 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 p -82.57 45.52 0.98 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.815 0.816 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -34.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 114.175 -1.375 . . . . 0.0 110.757 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.38 138.61 12.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.797 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.12 34.6 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.4 mpt_? 57.64 22.64 8.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.12 -61.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -85.81 120.3 27.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -93.72 3.6 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 60.68 103.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.4 t -127.74 -1.45 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.7 t -69.2 -4.95 19.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -58.47 126.84 29.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.006 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.0 tt -95.18 141.42 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.52 -12.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.54 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.044 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp -87.68 -179.66 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.4 m-20 -148.59 160.0 43.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.652 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.4 t-105 63.84 -77.78 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.692 0.758 . . . . 0.0 111.043 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 176.69 -28.75 0.07 OUTLIER Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -163.56 20.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.223 -0.988 . . . . 0.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.652 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -112.97 -179.47 3.65 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.655 -179.167 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -154.5 178.94 9.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.959 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.36 9.71 3.48 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.928 0.871 . . . . 0.0 109.832 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mm -51.44 -50.25 29.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.871 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -146.26 162.18 38.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.279 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.01 32.31 5.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.246 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 59.27 20.92 9.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.71 149.6 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -149.25 151.02 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -128.96 -65.75 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.807 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -114.99 151.73 33.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 m -146.96 12.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 t -60.15 -15.75 26.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.044 0.449 . . . . 0.0 110.952 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.5 t -66.67 131.78 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.0 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt 60.8 102.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.53 20.57 3.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.97 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.18 -175.71 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.373 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.548 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 10.6 m-20 -148.92 136.01 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.604 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 56.6 t-105 61.72 166.23 0.1 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 110.364 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -50.78 -31.89 24.51 Favored Glycine 0 N--CA 1.441 -1.028 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -168.73 76.27 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.376 0.671 . . . . 0.0 109.582 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' HB3' ' HB3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -157.52 -165.95 1.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 -178.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.5 tp60 -146.44 -59.46 0.3 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.491 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -61.84 89.81 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.62 0.724 . . . . 0.0 110.109 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -154.72 -42.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.014 -177.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -158.87 -41.12 0.06 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.99 -78.19 1.57 Allowed Glycine 0 C--N 1.316 -0.53 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.116 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -169.82 23.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.478 HG22 ' HG ' ' A' ' 10' ' ' LEU . 34.3 m -76.79 173.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.289 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -102.02 -177.36 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -138.65 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -66.96 -66.76 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t 57.94 22.65 8.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 t -58.58 -17.01 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -64.15 122.78 17.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.981 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.67 140.74 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.71 13.15 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp -143.07 150.76 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 3' ' ' TRP . 10.5 m-20 -148.37 154.86 40.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 21.6 t-105 64.19 -78.47 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . 177.9 -29.24 0.07 OUTLIER Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -161.46 19.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.276 -0.962 . . . . 0.0 109.12 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -110.16 -179.09 3.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.515 -179.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.672 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -149.62 -27.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.555 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -81.68 44.72 0.83 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.775 0.798 . . . . 0.0 110.349 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -84.94 -43.66 17.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.05 139.41 11.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.714 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.04 46.51 1.06 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.589 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 57.71 21.39 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.07 -8.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -125.26 135.53 52.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -148.47 103.27 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.4 m80 60.93 106.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -82.62 10.98 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.7 m -60.47 -18.09 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -53.65 135.85 40.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -112.83 4.59 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.31 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.91 -8.79 61.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.577 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.917 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp -86.4 135.96 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.8 p30 -165.13 168.98 16.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 23.6 t-105 62.35 -79.64 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 177.52 -29.29 0.07 OUTLIER Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -164.61 20.62 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.401 -0.9 . . . . 0.0 109.4 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.684 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -109.37 -166.79 1.13 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.769 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -145.27 -59.73 0.34 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.356 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 6' ' ' LEU . 1.6 t -62.31 88.98 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.711 0.767 . . . . 0.0 110.026 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD22 ' A' ' 6' ' ' LEU . 1.1 mm -154.45 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.918 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.17 101.48 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.579 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.8 20.2 34.38 Favored Glycine 0 N--CA 1.434 -1.49 0 C-N-CA 119.236 -1.459 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 9.0 mpt_? 57.99 22.14 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -86.93 -2.14 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -98.65 178.94 4.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -73.59 -67.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -160.98 -36.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -144.97 4.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 m -60.74 -19.11 58.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.745 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -54.96 116.01 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -95.73 140.56 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.5 -25.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.433 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm -102.85 167.93 9.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' HB2' HG21 ' A' ' 9' ' ' ILE . 2.1 p30 -167.27 157.37 11.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 57.8 t-105 60.44 165.74 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.709 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -56.87 -16.84 19.43 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t 173.22 74.82 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.242 0.617 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -153.95 -174.33 4.92 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -178.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.42 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 10.1 mm100 -152.25 -30.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.8 p -83.35 48.72 1.44 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.72 0.772 . . . . 0.0 110.558 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG12 HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -98.93 -22.96 4.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.839 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD13 ' H ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -137.62 162.94 32.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.245 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.606 ' H ' HD13 ' A' ' 10' ' ' LEU . . . -171.45 23.35 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.834 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 58.75 20.99 8.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.65 139.9 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.005 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -127.26 102.67 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt 60.59 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -160.28 112.49 2.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -161.03 9.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -76.23 9.72 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -80.72 18.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.04 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.1 pt -98.44 162.03 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.31 19.08 6.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.01 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm -133.48 -175.41 3.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.336 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.657 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 12.9 t70 -165.42 -75.43 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.285 0.564 . . . . 0.0 110.485 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.659 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 60.2 t-105 -52.53 164.43 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.205 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 3' ' ' TRP . . . -46.51 -32.08 5.32 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' GLY . 42.0 m -172.46 71.39 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.341 0.656 . . . . 0.0 110.088 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -144.49 -150.32 0.31 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.624 -179.483 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.595 ' H ' HE21 ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.26 170.83 7.05 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.46 10.49 4.02 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 109.45 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 24.5 mm -98.3 11.2 6.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.832 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 93.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.711 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.52 15.99 55.03 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.586 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -106.23 12.04 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.777 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 t -127.92 140.33 49.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -157.98 6.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.592 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -70.23 -3.11 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -62.18 -59.86 4.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.8 m 58.91 19.2 6.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -74.9 6.61 3.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.661 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 t -53.84 118.87 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.7 tt -106.58 139.47 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.27 -29.2 6.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.895 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -144.89 176.72 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' TRP . 10.5 m-20 -126.85 -136.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.636 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 2.7 t-105 -31.01 -49.77 0.14 Allowed 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.765 0.793 . . . . 0.0 111.476 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.13 -18.82 0.55 Allowed Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -179.56 26.24 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.913 -1.144 . . . . 0.0 109.567 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.636 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -120.9 -171.32 2.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.504 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.596 HE21 ' HA ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -155.7 158.01 37.56 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.974 178.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 ' OG1' ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 71.18 2.31 4.19 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.409 0.623 . . . . 0.0 110.474 -179.109 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.499 HG12 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.31 -11.35 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.09 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.473 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.9 mm? -64.06 90.04 0.06 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.933 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.19 17.79 56.03 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 119.651 -1.262 . . . . 0.0 111.511 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -112.52 15.98 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 10' ' ' LEU . 35.0 m -92.56 168.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.181 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -142.55 139.4 31.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -152.64 -28.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 60.5 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.5 m -75.89 -80.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 t 38.59 31.6 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.48 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 t -84.05 175.55 9.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.962 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.3 pt -69.2 175.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.33 40.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.803 -179.974 . . . . . . . . 0 0 . 1 stop_ save_